 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer04_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-211750.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    211751.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer04_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0453067011 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.0030257980 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.78D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 950000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.619855488691    
 DIIS: error= 2.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.619855488691     IErMin= 1 ErrMin= 2.72D-03
 ErrMax= 2.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-03 BMatP= 8.00D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.192 Goal=   None    Shift=    0.000
 GapD=    0.192 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.84D-03 MaxDP=1.07D+00              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.80D-03    CP:  1.23D+00
 E= -465.626704869436     Delta-E=       -0.006849380745 Rises=F Damp=F
 DIIS: error= 7.82D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.626704869436     IErMin= 2 ErrMin= 7.82D-04
 ErrMax= 7.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-04 BMatP= 8.00D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.82D-03
 Coeff-Com:  0.331D-01 0.967D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.329D-01 0.967D+00
 Gap=     0.196 Goal=   None    Shift=    0.000
 RMSDP=4.40D-04 MaxDP=5.72D-02 DE=-6.85D-03 OVMax= 1.02D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.25D-04    CP:  1.24D+00  1.04D+00
 E= -465.626398990854     Delta-E=        0.000305878582 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.626704869436     IErMin= 2 ErrMin= 7.82D-04
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-04 BMatP= 2.44D-04
 IDIUse=3 WtCom= 2.26D-01 WtEn= 7.74D-01
 Coeff-Com: -0.117D-01 0.632D+00 0.379D+00
 Coeff-En:   0.000D+00 0.682D+00 0.318D+00
 Coeff:     -0.265D-02 0.671D+00 0.332D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=5.92D-03 DE= 3.06D-04 OVMax= 7.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.39D-05    CP:  1.24D+00  1.04D+00  6.98D-01
 E= -465.626911495622     Delta-E=       -0.000512504768 Rises=F Damp=F
 DIIS: error= 1.27D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.626911495622     IErMin= 4 ErrMin= 1.27D-04
 ErrMax= 1.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-05 BMatP= 2.44D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.27D-03
 Coeff-Com: -0.877D-02 0.321D+00 0.176D+00 0.512D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.875D-02 0.320D+00 0.175D+00 0.513D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.28D-05 MaxDP=1.26D-03 DE=-5.13D-04 OVMax= 7.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.58D-05    CP:  1.24D+00  1.04D+00  6.23D-01  9.42D-01
 E= -465.626925654830     Delta-E=       -0.000014159208 Rises=F Damp=F
 DIIS: error= 2.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.626925654830     IErMin= 5 ErrMin= 2.16D-05
 ErrMax= 2.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-07 BMatP= 1.35D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-02 0.369D-01 0.241D-01 0.149D+00 0.791D+00
 Coeff:     -0.184D-02 0.369D-01 0.241D-01 0.149D+00 0.791D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=5.56D-04 DE=-1.42D-05 OVMax= 2.31D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.89D-06    CP:  1.24D+00  1.04D+00  6.36D-01  9.14D-01  8.90D-01
 E= -465.626925939113     Delta-E=       -0.000000284283 Rises=F Damp=F
 DIIS: error= 9.78D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.626925939113     IErMin= 6 ErrMin= 9.78D-06
 ErrMax= 9.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-07 BMatP= 3.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.570D-03 0.315D-02 0.412D-02 0.552D-01 0.459D+00 0.479D+00
 Coeff:     -0.570D-03 0.315D-02 0.412D-02 0.552D-01 0.459D+00 0.479D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.24D-06 MaxDP=9.47D-05 DE=-2.84D-07 OVMax= 1.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.13D-06    CP:  1.24D+00  1.04D+00  6.37D-01  9.24D-01  9.13D-01
                    CP:  7.17D-01
 E= -465.626926072367     Delta-E=       -0.000000133254 Rises=F Damp=F
 DIIS: error= 2.12D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.626926072367     IErMin= 7 ErrMin= 2.12D-06
 ErrMax= 2.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.41D-09 BMatP= 1.40D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-03-0.102D-02 0.242D-03 0.158D-01 0.169D+00 0.233D+00
 Coeff-Com:  0.583D+00
 Coeff:     -0.149D-03-0.102D-02 0.242D-03 0.158D-01 0.169D+00 0.233D+00
 Coeff:      0.583D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=9.31D-07 MaxDP=3.78D-05 DE=-1.33D-07 OVMax= 4.78D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.16D-07    CP:  1.24D+00  1.04D+00  6.36D-01  9.25D-01  9.15D-01
                    CP:  6.99D-01  8.67D-01
 E= -465.626926076910     Delta-E=       -0.000000004543 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.626926076910     IErMin= 8 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-09 BMatP= 5.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.241D-04-0.871D-03-0.288D-03 0.245D-02 0.441D-01 0.799D-01
 Coeff-Com:  0.361D+00 0.514D+00
 Coeff:     -0.241D-04-0.871D-03-0.288D-03 0.245D-02 0.441D-01 0.799D-01
 Coeff:      0.361D+00 0.514D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.28D-07 MaxDP=1.37D-05 DE=-4.54D-09 OVMax= 1.89D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.94D-07    CP:  1.24D+00  1.04D+00  6.37D-01  9.26D-01  9.18D-01
                    CP:  7.05D-01  8.75D-01  7.11D-01
 E= -465.626926078142     Delta-E=       -0.000000001232 Rises=F Damp=F
 DIIS: error= 2.34D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.626926078142     IErMin= 9 ErrMin= 2.34D-07
 ErrMax= 2.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-11 BMatP= 1.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.425D-05-0.340D-03-0.143D-03-0.553D-03 0.442D-02 0.145D-01
 Coeff-Com:  0.117D+00 0.247D+00 0.617D+00
 Coeff:      0.425D-05-0.340D-03-0.143D-03-0.553D-03 0.442D-02 0.145D-01
 Coeff:      0.117D+00 0.247D+00 0.617D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.43D-08 MaxDP=2.36D-06 DE=-1.23D-09 OVMax= 3.39D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.56D-08    CP:  1.24D+00  1.04D+00  6.37D-01  9.26D-01  9.18D-01
                    CP:  7.07D-01  8.86D-01  7.11D-01  7.11D-01
 E= -465.626926078258     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 5.53D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.626926078258     IErMin=10 ErrMin= 5.53D-08
 ErrMax= 5.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-12 BMatP= 6.13D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.318D-05-0.115D-03-0.396D-04-0.411D-03-0.183D-03 0.253D-02
 Coeff-Com:  0.365D-01 0.873D-01 0.290D+00 0.584D+00
 Coeff:      0.318D-05-0.115D-03-0.396D-04-0.411D-03-0.183D-03 0.253D-02
 Coeff:      0.365D-01 0.873D-01 0.290D+00 0.584D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=1.30D-06 DE=-1.16D-10 OVMax= 5.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.56D-08    CP:  1.24D+00  1.04D+00  6.37D-01  9.26D-01  9.18D-01
                    CP:  7.07D-01  8.86D-01  7.12D-01  7.27D-01  8.38D-01
 E= -465.626926078269     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.626926078269     IErMin=11 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 3.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-05-0.217D-04-0.589D-06-0.144D-03-0.439D-03-0.952D-04
 Coeff-Com:  0.651D-02 0.173D-01 0.755D-01 0.241D+00 0.661D+00
 Coeff:      0.104D-05-0.217D-04-0.589D-06-0.144D-03-0.439D-03-0.952D-04
 Coeff:      0.651D-02 0.173D-01 0.755D-01 0.241D+00 0.661D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.96D-09 MaxDP=1.85D-07 DE=-1.14D-11 OVMax= 1.11D-07

 SCF Done:  E(RB3LYP) =  -465.626926078     A.U. after   11 cycles
            NFock= 11  Conv=0.50D-08     -V/T= 2.0117
 KE= 4.602609649774D+02 PE=-2.300224646305D+03 EE= 7.633337294515D+02
 Leave Link  502 at Thu Aug 12 20:42:30 2021, MaxMem=  5368709120 cpu:             854.3 elap:             107.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.70708360D+02

 Leave Link  801 at Thu Aug 12 20:42:30 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 3.45D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 7.25D-02 9.47D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 5.55D-03 1.95D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 6.05D-04 3.53D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 3.74D-05 8.51D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.01D-06 1.29D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.84D-08 2.76D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.81D-10 2.81D-06.
      9 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 6.70D-12 3.76D-07.
      2 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 7.33D-14 3.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.171697D+03
      2 -0.295356D+01  0.119662D+03
      3 -0.581410D+01  0.230466D+01  0.101997D+03
 Isotropic polarizability for W=    0.085645      131.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.773502D+02 -0.128753D+02  0.219604D+02
      2   0.205484D+02  0.175832D+02 -0.332582D+02
      3   0.568018D+02 -0.470793D+01  0.112978D+02
      4   0.413750D+01  0.228338D+02 -0.235899D+02
      5   0.303515D+02 -0.252208D+02  0.781926D+02
      6  -0.398839D+01 -0.370457D+01  0.126135D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.633423D+00  0.492473D+01 -0.711759D+01
      2   0.397130D+02 -0.109623D+02  0.303589D+02
      3   0.241242D+02 -0.120287D+02  0.123913D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.163085D+01  0.295537D+02 -0.173214D+02
      2  -0.839108D+01 -0.196015D+02  0.213908D+02
      3   0.170128D+02 -0.228543D+01  0.212324D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.306754D+00 -0.851411D+01 -0.429024D+01
      2  -0.851411D+01  0.978543D+00 -0.219437D+01
      3  -0.429024D+01 -0.219437D+01 -0.489785D+00
 OR G Eigenvalues:   -10.1133     1.5214     9.3873  Iso=    -0.2652
 Eigenvectors:
   (1)   0.670258   0.600707   0.435782
   (2)  -0.201705  -0.417645   0.885939
   (3)   0.714192  -0.681707  -0.158765
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2652 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -82.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.24D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.30D-02 5.14D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.52D-03 7.53D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 1.72D-05 4.76D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.74D-07 4.57D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.72D-09 4.37D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 6.07D-12 1.98D-07.
     13 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.28D-14 9.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.95D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.95D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171697D+03 -0.295356D+01 -0.581410D+01
      2  -0.295356D+01  0.119662D+03  0.230466D+01
      3  -0.581410D+01  0.230466D+01  0.101997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.633423D+00  0.492473D+01 -0.711759D+01
      2   0.397130D+02 -0.109623D+02  0.303589D+02
      3   0.241242D+02 -0.120287D+02  0.123913D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.773502D+02 -0.128753D+02  0.219604D+02
      2   0.205484D+02  0.175832D+02 -0.332582D+02
      3   0.568018D+02 -0.470793D+01  0.112978D+02
      4   0.413750D+01  0.228338D+02 -0.235899D+02
      5   0.303515D+02 -0.252208D+02  0.781926D+02
      6  -0.398839D+01 -0.370457D+01  0.126135D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393562D+01  0.121137D+01 -0.417341D+01  0.148020D+00  0.369297D+01
      2   0.121137D+01  0.374272D+01  0.225077D+01  0.369297D+01  0.236093D+01
      3  -0.417341D+01  0.225077D+01 -0.353110D+01  0.224287D+01 -0.176346D+01
                 6             7             8             9            10 
      1   0.224287D+01 -0.346158D+01  0.275852D+01 -0.326493D+01  0.283726D+02
      2  -0.176346D+01  0.275852D+01 -0.958947D+00 -0.967292D+00 -0.234649D+01
      3  -0.170974D+01 -0.326493D+01 -0.967292D+00  0.701486D+00  0.390382D+01
                11            12            13            14            15 
      1  -0.234649D+01  0.390382D+01 -0.138144D+02 -0.223839D+01 -0.302188D+01
      2  -0.261676D+01 -0.215242D+01 -0.223839D+01 -0.470610D+01  0.102831D+01
      3  -0.215242D+01  0.355577D+01 -0.302188D+01  0.102831D+01  0.104026D+01
                16            17            18            19            20 
      1   0.173574D+02 -0.314997D+01  0.614547D+01 -0.441627D+02  0.174014D+01
      2  -0.314997D+01  0.217882D+01  0.588240D+00  0.174014D+01 -0.255117D+01
      3   0.614547D+01  0.588240D+00 -0.254865D+01 -0.121285D+00  0.106514D+01
                21            22            23            24            25 
      1  -0.121285D+00  0.122259D+02 -0.193287D+01  0.255532D+01 -0.696331D+01
      2   0.106514D+01 -0.193287D+01 -0.202031D+01 -0.162097D+01  0.243685D+01
      3  -0.306142D+01  0.255532D+01 -0.162097D+01  0.202384D+01 -0.725533D+01
                26            27            28            29            30 
      1   0.243685D+01 -0.725533D+01  0.591011D+02  0.408336D+00 -0.319825D+01
      2  -0.240121D+01  0.139862D+01  0.408336D+00  0.184835D+01 -0.640618D+00
      3   0.139862D+01  0.524528D+01 -0.319825D+01 -0.640618D+00  0.205912D+01
                31            32            33            34            35 
      1  -0.131500D+02  0.176844D+01 -0.428782D-01 -0.148076D+02 -0.182926D+01
      2   0.176844D+01  0.274519D+01  0.144600D+01 -0.182926D+01  0.949542D+00
      3  -0.428782D-01  0.144600D+01 -0.935756D+00  0.629916D+01 -0.230757D+00
                36            37            38            39            40 
      1   0.629916D+01 -0.520591D+02 -0.304138D+01  0.303044D+01  0.130217D+02
      2  -0.230757D+00 -0.304138D+01 -0.118144D+01  0.797420D+00 -0.362845D+01
      3  -0.414630D+01  0.303044D+01  0.797420D+00 -0.139584D+01 -0.725228D+00
                41            42            43            44            45 
      1  -0.362845D+01 -0.725228D+00  0.159374D+02  0.145452D+01 -0.478832D+01
      2  -0.238442D+01 -0.137106D+01  0.145452D+01 -0.143794D+01  0.844041D+00
      3  -0.137106D+01  0.181147D+01 -0.478832D+01  0.844041D+00  0.216154D+01
                46            47            48            49            50 
      1   0.186848D+02  0.295413D+01 -0.120351D+01  0.273593D+02  0.943786D+01
      2   0.295413D+01  0.915324D-01  0.334109D+00  0.943786D+01  0.639550D+01
      3  -0.120351D+01  0.334109D+00 -0.468202D+00  0.274126D+00  0.367577D+00
                51            52            53            54            55 
      1   0.274126D+00  0.352432D+01  0.236364D+01 -0.101423D+01 -0.723410D+01
      2   0.367577D+00  0.236364D+01  0.122046D+01  0.530626D+00 -0.321489D+01
      3  -0.220589D+00 -0.101423D+01  0.530626D+00  0.726059D+00 -0.464106D+00
                56            57            58            59            60 
      1  -0.321489D+01 -0.464106D+00 -0.291037D+02 -0.109224D+02  0.477922D+00
      2  -0.167609D+01 -0.560113D+00 -0.109224D+02 -0.114955D+02 -0.642938D+00
      3  -0.560113D+00 -0.496045D+00  0.477922D+00 -0.642938D+00 -0.157384D+01
                61            62            63            64            65 
      1  -0.699447D+01 -0.233709D+01 -0.183413D+01 -0.741987D+01  0.220659D+01
      2  -0.233709D+01 -0.114703D+01 -0.284270D+01  0.220659D+01  0.318413D+01
      3  -0.183413D+01 -0.284270D+01 -0.133598D+01 -0.250475D+01  0.273482D+01
                66            67            68            69            70 
      1  -0.250475D+01  0.206095D+01  0.220499D+01  0.296532D+01 -0.513327D+01
      2   0.273482D+01  0.220499D+01  0.392447D+01 -0.125765D+00  0.298126D+01
      3  -0.291755D+01  0.296532D+01 -0.125765D+00 -0.186968D+01 -0.413905D+01
                71            72            73            74            75 
      1   0.298126D+01 -0.413905D+01 -0.330945D+01 -0.248522D+01  0.154918D+01
      2  -0.703120D+00 -0.773435D+00 -0.248522D+01  0.205398D+01 -0.747385D+00
      3  -0.773435D+00  0.440413D+01  0.154918D+01 -0.747385D+00 -0.286109D+01
                76            77            78            79            80 
      1  -0.364832D+01  0.224478D+01 -0.166854D+01 -0.137512D+01 -0.143752D+01
      2   0.224478D+01  0.599203D+01 -0.372634D+00 -0.143752D+01 -0.963210D+00
      3  -0.166854D+01 -0.372634D+00 -0.163807D+01 -0.510141D+01 -0.240276D+01
                81            82            83            84            85 
      1  -0.510141D+01 -0.380499D+01  0.192314D+01 -0.240129D+01  0.266178D+01
      2  -0.240276D+01  0.192314D+01  0.192783D+01  0.161877D+01  0.242043D+01
      3  -0.151240D+01 -0.240129D+01  0.161877D+01  0.931473D+00  0.129621D+01
                86            87            88            89            90 
      1   0.242043D+01  0.129621D+01 -0.268588D+01  0.179795D+01  0.133307D+01
      2  -0.137136D+01  0.311097D+01  0.179795D+01  0.426719D+01 -0.256774D+01
      3   0.311097D+01 -0.216255D+01  0.133307D+01 -0.256774D+01 -0.498153D+00
                91            92            93            94            95 
      1   0.296395D+01  0.478528D+01  0.807896D+00  0.752005D+01  0.314624D+01
      2   0.478528D+01  0.597546D+00 -0.170329D+01  0.314624D+01 -0.416331D+01
      3   0.807896D+00 -0.170329D+01 -0.131304D+01 -0.154971D+01  0.740796D+00
                96            97            98            99           100 
      1  -0.154971D+01  0.149052D+01 -0.169253D+01  0.267528D+00  0.646161D+01
      2   0.740796D+00 -0.169253D+01  0.135360D+01 -0.383958D+01  0.188131D+01
      3  -0.314999D+01  0.267528D+00 -0.383958D+01 -0.336475D+01 -0.270165D+01
               101           102           103           104           105 
      1   0.188131D+01 -0.270165D+01  0.528006D+00  0.101294D+01 -0.313049D+00
      2   0.145176D+01 -0.590223D+00  0.101294D+01  0.412279D+00 -0.610154D+00
      3  -0.590223D+00  0.216362D+01 -0.313049D+00 -0.610154D+00  0.495939D+00
               106           107           108           109           110 
      1  -0.496094D+01 -0.975063D+00  0.302021D+01  0.246556D+01  0.153883D+01
      2  -0.975063D+00 -0.146975D+01  0.118342D+01  0.153883D+01  0.796351D+00
      3   0.302021D+01  0.118342D+01 -0.264434D+01  0.176604D+01  0.840872D+00
               111           112           113           114           115 
      1   0.176604D+01  0.520261D+00  0.133820D+01  0.995786D+00  0.466106D+01
      2   0.840872D+00  0.133820D+01  0.146555D+01  0.145530D+01  0.211937D+01
      3   0.190904D+01  0.995786D+00  0.145530D+01  0.141859D+01  0.408762D+01
               116           117           118           119           120 
      1   0.211937D+01  0.408762D+01  0.723066D+01 -0.618291D+00 -0.191899D+01
      2   0.252912D+01  0.233169D+01 -0.618291D+00  0.509478D+00 -0.252758D-01
      3   0.233169D+01  0.542219D+01 -0.191899D+01 -0.252758D-01  0.192472D+01
               121           122           123           124           125 
      1  -0.501455D+01  0.846377D+00  0.302150D-01 -0.343476D+01 -0.285200D+00
      2   0.846377D+00 -0.294240D-01 -0.994174D+00 -0.285200D+00 -0.122960D+01
      3   0.302150D-01 -0.994174D+00 -0.992744D+00  0.391919D+01 -0.721429D+00
               126           127           128           129           130 
      1   0.391919D+01 -0.213149D+01  0.328147D+00  0.109822D+01  0.308169D+00
      2  -0.721429D+00  0.328147D+00 -0.168645D+01 -0.829925D+00 -0.970999D+00
      3  -0.871952D+01  0.109822D+01 -0.829925D+00 -0.137671D+01 -0.560445D+00
               131           132           133           134           135 
      1  -0.970999D+00 -0.560445D+00  0.180017D+01 -0.775865D+00 -0.101041D+01
      2   0.209353D+01  0.803652D+00 -0.775865D+00  0.184999D+01  0.171009D+01
      3   0.803652D+00  0.109493D+01 -0.101041D+01  0.171009D+01  0.291123D+01
               136           137           138           139           140 
      1   0.927556D+00  0.108572D+01 -0.403399D+00  0.156624D+00  0.217777D+00
      2   0.108572D+01 -0.195938D-01 -0.110012D+00  0.217777D+00  0.735941D+01
      3  -0.403399D+00 -0.110012D+00 -0.899454D-01 -0.186437D+00 -0.342935D+01
               141           142           143           144           145 
      1  -0.186437D+00 -0.974046D+00 -0.348440D+00 -0.192980D+00 -0.179788D+01
      2  -0.342935D+01 -0.348440D+00 -0.492510D+01  0.348498D+01 -0.168459D+01
      3   0.237798D+01 -0.192980D+00  0.348498D+01 -0.322836D+01  0.579668D+00
               146           147           148           149           150 
      1  -0.168459D+01  0.579668D+00 -0.134908D+01 -0.207237D+01  0.166137D+00
      2  -0.269710D+01  0.488891D+00 -0.207237D+01 -0.582697D+01  0.146340D+01
      3   0.488891D+00 -0.715882D+00  0.166137D+00  0.146340D+01 -0.148340D+01
               151           152           153           154           155 
      1  -0.292498D+00 -0.779606D-01 -0.228931D+00 -0.209459D+01  0.967657D+00
      2  -0.779606D-01  0.465333D-01 -0.619705D+00  0.967657D+00 -0.155164D+01
      3  -0.228931D+00 -0.619705D+00  0.214551D+00  0.141688D+01 -0.715551D+00
               156           157           158           159           160 
      1   0.141688D+01  0.137520D+01 -0.144182D+01 -0.927662D+00  0.955808D+00
      2  -0.715551D+00 -0.144182D+01  0.218467D+01  0.119535D+01 -0.756309D+00
      3  -0.164629D+01 -0.927662D+00  0.119535D+01  0.251220D+01 -0.903626D+00
               161           162           163           164           165 
      1  -0.756309D+00 -0.903626D+00  0.564745D+01 -0.146319D+01  0.386500D+01
      2   0.103771D+01  0.121611D+01 -0.146319D+01  0.115157D+01 -0.143388D+01
      3   0.121611D+01  0.252663D+01  0.386500D+01 -0.143388D+01  0.440483D+01
               166           167           168           169           170 
      1  -0.404750D+00  0.731992D+00 -0.742744D+00  0.221772D+01 -0.106568D+01
      2   0.731992D+00 -0.114373D+01  0.126301D+01 -0.106568D+01  0.982281D+00
      3  -0.742744D+00  0.126301D+01 -0.681142D+00  0.324083D+01 -0.119856D+01
               171           172           173           174           175 
      1   0.324083D+01  0.253551D+01 -0.163837D+00 -0.170376D+01  0.110564D+01
      2  -0.119856D+01 -0.163837D+00  0.516184D-01 -0.244907D+00 -0.347320D-01
      3   0.463061D+01 -0.170376D+01 -0.244907D+00  0.218213D+01 -0.897997D+00
               176           177           178           179           180 
      1  -0.347320D-01 -0.897997D+00 -0.245486D+01  0.117091D+00  0.336240D+01
      2   0.437651D+00 -0.831931D+00  0.117091D+00 -0.135721D+01 -0.257240D-02
      3  -0.831931D+00  0.155193D+01  0.336240D+01 -0.257240D-02 -0.691129D+01
               181           182           183           184           185 
      1  -0.930831D+00 -0.112101D+01  0.935749D-01 -0.150851D+01 -0.546598D+00
      2  -0.112101D+01 -0.343614D+01 -0.825354D+00 -0.546598D+00 -0.805999D+01
      3   0.935749D-01 -0.825354D+00 -0.586073D+00 -0.216158D+00 -0.128548D+01
               186           187           188           189           190 
      1  -0.216158D+00  0.501005D+00 -0.452903D+00  0.198755D+00  0.842111D+01
      2  -0.128548D+01 -0.452903D+00 -0.756290D+00 -0.109680D+01 -0.329507D+01
      3  -0.107882D+01  0.198755D+00 -0.109680D+01 -0.901332D+00  0.213593D+01
               191           192           193           194           195 
      1  -0.329507D+01  0.213593D+01 -0.142010D+01  0.176168D+01 -0.779558D+00
      2   0.179434D+01 -0.863952D+00  0.176168D+01 -0.190697D+01  0.601927D+00
      3  -0.863952D+00  0.188187D+01 -0.779558D+00  0.601927D+00 -0.253332D+00
               196           197           198           199           200 
      1   0.542263D+01 -0.217080D+01  0.244645D+01  0.492470D+00 -0.863072D+00
      2  -0.217080D+01  0.185404D+01 -0.801077D+00 -0.863072D+00 -0.326592D+00
      3   0.244645D+01 -0.801077D+00  0.166128D+01 -0.562424D+00 -0.111943D+00
               201           202           203           204           205 
      1  -0.562424D+00 -0.196450D+01 -0.334543D-01  0.329835D+00 -0.200859D+01
      2  -0.111943D+00 -0.334543D-01 -0.578328D+01 -0.171030D+01  0.438275D+00
      3  -0.488271D-01  0.329835D+00 -0.171030D+01 -0.153133D+01 -0.840285D+00
               206           207           208           209           210 
      1   0.438275D+00 -0.840285D+00 -0.868133D+00  0.129362D+01  0.555707D+00
      2  -0.128850D+01 -0.117617D+01  0.129362D+01  0.176493D+00 -0.132248D+00
      3  -0.117617D+01 -0.756207D+00  0.555707D+00 -0.132248D+00 -0.169225D+00
               211           212           213           214           215 
      1   0.224662D+01 -0.341519D+00 -0.302082D+00  0.775184D+00 -0.473924D+00
      2  -0.341519D+00  0.594984D+01  0.112799D+01 -0.473924D+00  0.136125D+01
      3  -0.302082D+00  0.112799D+01  0.896387D+00  0.322968D+00  0.642220D+00
               216           217           218           219           220 
      1   0.322968D+00 -0.297560D+01  0.536966D+00 -0.795204D+00  0.355169D+01
      2   0.642220D+00  0.536966D+00 -0.685388D+00  0.587503D+00 -0.328514D+01
      3   0.176947D+00 -0.795204D+00  0.587503D+00 -0.248362D+00  0.370649D+00
               221           222           223           224           225 
      1  -0.328514D+01  0.370649D+00 -0.257041D+01  0.174402D+01 -0.121171D+01
      2   0.624848D+01 -0.176187D+01  0.174402D+01 -0.305370D+01  0.238495D+01
      3  -0.176187D+01  0.227719D+01 -0.121171D+01  0.238495D+01 -0.188916D+01
               226           227           228           229           230 
      1  -0.886225D+00 -0.454640D+00  0.589222D+00  0.142585D+01 -0.138479D+01
      2  -0.454640D+00  0.542734D+00  0.649556D+00 -0.138479D+01  0.270060D+01
      3   0.589222D+00  0.649556D+00  0.101412D+01 -0.417841D+00  0.181072D+01
               231           232           233           234           235 
      1  -0.417841D+00  0.323434D+01 -0.680155D+00 -0.159946D+01 -0.969375D+01
      2   0.181072D+01 -0.680155D+00  0.213513D+01  0.296658D+01 -0.210956D+01
      3   0.234477D+01 -0.159946D+01  0.296658D+01  0.706852D+01  0.760435D+00
               236           237           238           239           240 
      1  -0.210956D+01  0.760435D+00 -0.483783D+01 -0.199119D+01  0.647825D+00
      2  -0.149206D+01  0.319239D+00 -0.199119D+01 -0.137878D+01  0.105084D+00
      3   0.319239D+00 -0.110108D+01  0.647825D+00  0.105084D+00 -0.564502D+00
               241           242           243 
      1   0.239713D+00  0.297167D+00 -0.125885D+01
      2   0.297167D+00 -0.740436D-01 -0.409866D-01
      3  -0.125885D+01 -0.409866D-01  0.606009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278423D+01  0.111770D+02  0.172898D+01  0.110909D+02  0.404190D+01
      2  -0.851509D+01  0.384194D+00  0.528033D+01  0.279104D+01 -0.116570D+02
      3  -0.117503D+01 -0.104137D+02  0.105676D+01 -0.555807D+01 -0.862262D+01
                 6             7             8             9            10 
      1  -0.824335D+01  0.258017D+01 -0.157660D+01 -0.349157D+01  0.713461D+01
      2  -0.772147D+01 -0.243565D+01 -0.634177D+01  0.674968D+01  0.323417D+02
      3  -0.237780D-01 -0.208229D+01 -0.640016D+00  0.439036D+01  0.486578D+01
                11            12            13            14            15 
      1  -0.523601D+01  0.227162D+01 -0.175107D+01 -0.199049D+00 -0.351591D+01
      2  -0.684874D+01  0.130728D+02 -0.204175D+02  0.524375D+01  0.225983D+01
      3   0.543989D+01  0.229928D+01  0.908898D+01  0.157197D+02 -0.138609D+01
                16            17            18            19            20 
      1   0.127201D+01  0.596510D+01 -0.112388D+01 -0.873067D+01  0.331154D+01
      2   0.190027D+02  0.227669D+01 -0.273239D+01 -0.324754D+02  0.359266D+01
      3   0.514961D+01 -0.314905D+00 -0.367163D+01 -0.697753D+01 -0.430654D+01
                21            22            23            24            25 
      1  -0.278716D+01  0.158207D+01  0.612135D+01 -0.132332D+01 -0.278356D+01
      2   0.690011D+00  0.161180D+02 -0.368269D+01  0.498061D+01 -0.220586D+02
      3   0.665235D+00  0.105302D+02 -0.115514D+01  0.120613D+01  0.121398D+01
                26            27            28            29            30 
      1   0.389928D+01 -0.326196D+01  0.672507D+01 -0.965265D+00  0.177381D+01
      2   0.321223D+01 -0.367561D+01  0.345830D+02  0.674778D+00 -0.689870D+01
      3   0.130785D+01 -0.148009D+01  0.148471D+02  0.356189D+01 -0.263362D+01
                31            32            33            34            35 
      1   0.247658D+01 -0.347648D+01 -0.527070D+00 -0.318130D+01  0.266170D+01
      2  -0.784107D+01  0.111657D+01  0.616353D-01 -0.422368D+02 -0.632922D+00
      3   0.113113D+02  0.138584D+01 -0.350825D+00 -0.828161D+01 -0.202471D+01
                36            37            38            39            40 
      1   0.297467D+01 -0.145159D+01  0.191316D+00 -0.183617D+00  0.289318D+01
      2   0.782594D+01 -0.333692D+02 -0.257299D+01  0.105790D+02  0.734200D+01
      3   0.174331D+01 -0.226793D+02 -0.122437D+02  0.258717D+01  0.115960D+02
                41            42            43            44            45 
      1  -0.777865D+00  0.385841D-01  0.919037D+01  0.507367D+01 -0.119007D+01
      2  -0.280784D+00 -0.382471D+00  0.187732D+02 -0.124713D+01 -0.833052D+01
      3  -0.497625D+01 -0.341721D+01  0.831105D+01 -0.724657D+00 -0.292854D+00
                46            47            48            49            50 
      1  -0.159585D+01  0.276503D+01 -0.196396D+01  0.254825D+01 -0.191376D+01
      2   0.679852D+01  0.480690D+01 -0.125162D+02  0.142554D+02  0.196779D+01
      3   0.350082D+01  0.498982D+01 -0.142579D+01  0.427712D+02  0.277331D+02
                51            52            53            54            55 
      1   0.430134D+01  0.567723D+01  0.802442D+01  0.352213D+01  0.247068D+01
      2  -0.886789D+01 -0.230136D+02 -0.258673D+00  0.370713D+01 -0.150878D+01
      3  -0.133485D+01  0.741390D+00  0.398886D+01  0.147004D+01 -0.178211D+01
                56            57            58            59            60 
      1  -0.441345D+00 -0.737279D-01 -0.254031D+00  0.361035D+00 -0.948627D+01
      2  -0.134671D+00  0.771972D+01 -0.137434D+02 -0.173293D+01  0.129787D+02
      3  -0.937490D+01 -0.168211D+01 -0.252358D+02 -0.434554D+02 -0.189739D+01
                61            62            63            64            65 
      1  -0.257278D+00  0.102469D+01 -0.221849D+01 -0.542992D+01  0.382861D+01
      2   0.501236D+01  0.667866D+01  0.304707D+01 -0.112336D+02  0.108452D+02
      3  -0.478913D+01 -0.553306D+01 -0.785462D+01  0.196330D+01 -0.181292D+02
                66            67            68            69            70 
      1  -0.762352D+01  0.349909D+01 -0.303667D+01 -0.450141D+01 -0.112323D+02
      2  -0.951213D+01  0.966968D+01  0.619692D+00 -0.384457D+01 -0.186315D+02
      3  -0.592170D+01 -0.515482D+01 -0.209412D+02 -0.479863D+01 -0.437379D+01
                71            72            73            74            75 
      1   0.179227D+01  0.879276D+01 -0.344624D+01  0.342457D+01  0.410741D+01
      2   0.188804D+00  0.120949D+02  0.108721D+01 -0.134167D+01 -0.899346D+01
      3  -0.462933D+01  0.930371D+01  0.747351D+01 -0.159982D+02  0.749078D+01
                76            77            78            79            80 
      1   0.103113D+01  0.346222D+01  0.492481D+00  0.895009D+01  0.655458D+01
      2  -0.482964D+01 -0.216463D+01 -0.594309D+01 -0.233564D+02 -0.915942D+01
      3  -0.622960D+01 -0.161577D+02  0.160919D+00  0.751914D+01 -0.115744D+01
                81            82            83            84            85 
      1   0.200930D+01  0.499492D+01 -0.619420D+01 -0.268688D+01 -0.936533D+01
      2  -0.600110D+01 -0.572995D+01  0.233314D+01  0.243068D+01  0.632054D+01
      3   0.202634D+01 -0.105068D+02 -0.616821D+00 -0.884224D+01  0.786853D+01
                86            87            88            89            90 
      1  -0.104633D+02  0.947294D+00 -0.164790D+01  0.876369D+01  0.137390D+01
      2   0.416831D+01 -0.122248D+01 -0.253848D+01 -0.305172D+00 -0.262296D+00
      3   0.619916D+01  0.660188D+00 -0.122295D+02  0.182793D+00  0.665160D+01
                91            92            93            94            95 
      1   0.538413D+00  0.157312D+01  0.245761D+01  0.482057D+01 -0.358086D+01
      2  -0.558578D+01  0.588025D+01  0.116773D+02  0.764750D+01 -0.499777D+01
      3   0.203802D+02  0.233657D+01 -0.625381D+01  0.212496D+02 -0.152680D+02
                96            97            98            99           100 
      1   0.926362D+00 -0.764358D+01  0.899407D+01  0.201401D+01  0.379458D+01
      2   0.126547D+02 -0.132707D+02  0.217106D+02  0.165029D+02 -0.846195D+01
      3   0.166491D+01 -0.624567D+01  0.542969D+01 -0.169732D+02  0.382085D+01
               101           102           103           104           105 
      1  -0.185698D+00 -0.358794D+01  0.625575D+00  0.609804D+00 -0.157922D+01
      2  -0.155686D+01  0.910894D+01 -0.159870D+01 -0.164502D+01  0.178303D+01
      3  -0.386030D+01 -0.201302D+01 -0.246436D+00  0.518538D+00  0.145784D+01
               106           107           108           109           110 
      1  -0.383165D+01  0.192110D+00  0.410624D+01 -0.186720D+01 -0.234690D+00
      2   0.668118D+01  0.307951D+01 -0.900075D+01  0.254241D+01  0.217634D+01
      3  -0.367156D+01  0.479632D+01  0.533435D+00  0.262192D+00 -0.189904D+01
               111           112           113           114           115 
      1  -0.293972D+01 -0.142189D+01 -0.121988D+01 -0.273560D+01 -0.486861D+01
      2   0.701931D+01  0.137359D+01  0.458741D+01  0.472816D+01  0.989830D+01
      3  -0.297871D+00 -0.682502D+00 -0.281063D+01 -0.278194D+01 -0.440560D+00
               116           117           118           119           120 
      1   0.556351D+00 -0.804664D+01  0.402195D+00 -0.142956D+01 -0.404974D+00
      2   0.688378D+01  0.174673D+02  0.548544D+01 -0.105228D+01  0.109615D+01
      3  -0.674670D+01 -0.191577D+01  0.197195D+01 -0.160076D+01 -0.713326D+00
               121           122           123           124           125 
      1  -0.316468D+01 -0.288868D+00  0.550640D+00  0.107386D+01  0.405456D+01
      2  -0.521930D+01  0.580553D+00 -0.779380D+00 -0.275591D+01 -0.803220D+00
      3   0.120354D+01 -0.223296D+00  0.517872D+00 -0.912184D+00  0.155841D+01
               126           127           128           129           130 
      1   0.306281D+01 -0.300320D+01  0.193081D+01  0.416320D+01  0.167194D+01
      2  -0.420086D+01  0.268927D+01 -0.805891D+00 -0.419750D+00 -0.121599D+01
      3   0.127742D+01 -0.846498D+01  0.158947D+01  0.473730D+01  0.348039D+01
               131           132           133           134           135 
      1  -0.179549D+01 -0.363332D+01  0.313427D+01 -0.212717D+01 -0.858131D+01
      2   0.999422D+00  0.911685D+00 -0.340126D+01  0.186411D+01  0.254031D+01
      3  -0.526485D+01 -0.268726D+01  0.779245D+01 -0.412718D+01 -0.619225D+01
               136           137           138           139           140 
      1   0.226458D+00  0.547209D+00  0.470872D+00 -0.425254D+00  0.366429D+01
      2   0.344707D+00  0.246558D+00  0.473531D+00  0.726407D+00 -0.315349D+01
      3  -0.148474D+01  0.103767D+01 -0.398282D+00  0.443979D+01 -0.104252D+02
               141           142           143           144           145 
      1  -0.647678D+01  0.527712D+00 -0.396164D+01  0.688776D+01 -0.352633D+01
      2   0.225196D+01 -0.213708D+01  0.339856D+01 -0.335640D+01  0.653210D+01
      3   0.465770D+01 -0.227511D+01  0.604627D+01 -0.567774D+01  0.740782D+01
               146           147           148           149           150 
      1  -0.557189D+01 -0.124123D+01 -0.470865D+01 -0.968400D+01 -0.178314D+01
      2   0.453984D+01 -0.110666D+01  0.520459D+01  0.791848D+01 -0.179285D+01
      3   0.540774D+01 -0.121008D+01  0.830862D+01  0.113045D+02 -0.279657D+01
               151           152           153           154           155 
      1  -0.110721D+01  0.631237D+00 -0.140420D+01  0.429801D+01 -0.562430D+01
      2  -0.133057D+01 -0.787988D+00  0.757856D+00  0.976713D+01 -0.423192D+01
      3   0.119069D+01  0.295096D+00  0.150775D+01 -0.372668D+00  0.203656D+00
               156           157           158           159           160 
      1  -0.215853D+01 -0.479690D+01  0.769667D+01  0.236822D+01 -0.223657D+01
      2  -0.396031D+01 -0.644367D+01  0.600707D+01  0.559623D+01 -0.527613D+01
      3  -0.200213D+00  0.254463D+01 -0.923111D+00 -0.867054D+00  0.357169D+00
               161           162           163           164           165 
      1   0.450064D+01  0.392824D+01  0.113220D+01  0.184874D+01  0.220250D+01
      2   0.382500D+01  0.565686D+01 -0.294551D+01 -0.585469D+00  0.408467D+01
      3  -0.754376D-01 -0.104767D+01 -0.185087D+01 -0.273521D+01 -0.209947D+00
               166           167           168           169           170 
      1   0.398296D+00 -0.980806D+00  0.281426D+00  0.125815D+01  0.258419D+01
      2   0.836383D+00  0.154579D+01  0.196625D+00 -0.329795D+01 -0.110404D+00
      3   0.141098D+00  0.190321D+01 -0.144379D+01 -0.184095D+01 -0.171883D+01
               171           172           173           174           175 
      1   0.289116D+01 -0.275620D+01 -0.121966D+01  0.409294D+01 -0.955710D+00
      2   0.350221D+01 -0.339326D+01 -0.743961D+00  0.697442D+01 -0.126131D+01
      3  -0.795468D+00 -0.284440D+01 -0.979680D+00  0.341322D+01 -0.103561D+00
               176           177           178           179           180 
      1  -0.252138D+01  0.213947D+01  0.499365D+01  0.430193D+01 -0.113047D+02
      2  -0.264363D+01  0.461655D+01  0.595397D+01  0.669256D+00 -0.200247D+02
      3  -0.185644D+01  0.365326D+01  0.339666D+01  0.560141D+01 -0.506562D+01
               181           182           183           184           185 
      1   0.955306D+00  0.374792D+00 -0.164101D+01  0.360307D+00  0.235748D+01
      2  -0.955049D+00 -0.303507D+01 -0.552333D+00 -0.194320D+01 -0.453679D+01
      3   0.796852D+01  0.124260D+02  0.238360D+01  0.765047D+01  0.277833D+02
               186           187           188           189           190 
      1  -0.375022D+01  0.227103D+00 -0.372945D-01 -0.132812D+01  0.550218D+01
      2  -0.277920D+01 -0.293830D+00 -0.323905D+01 -0.232981D+01  0.103688D+02
      3   0.474904D+01  0.164906D+01  0.367501D+01  0.325092D+01 -0.362143D+01
               191           192           193           194           195 
      1  -0.200922D+01  0.468607D+01 -0.231399D+01  0.173115D+01 -0.178952D+01
      2  -0.456074D+01  0.101236D+02 -0.373489D+01  0.299116D+01 -0.185432D+01
      3  -0.340694D+01 -0.677728D+00 -0.100497D+01  0.423018D+01 -0.514021D+00
               196           197           198           199           200 
      1   0.464366D+01 -0.579724D+00  0.361298D+01 -0.887999D+00  0.505516D+00
      2   0.893842D+01 -0.318809D+01  0.785556D+01  0.964953D+00 -0.615090D+00
      3  -0.290725D+00 -0.377459D+01 -0.119053D+01  0.100643D+01  0.247241D+00
               201           202           203           204           205 
      1  -0.738996D+00  0.121995D+01  0.557957D+01 -0.241616D+01 -0.584981D+01
      2   0.569841D-01 -0.240423D+01 -0.523745D+00  0.160490D+01 -0.113481D+01
      3  -0.249219D+00  0.451788D+01 -0.335283D+01  0.166543D+00  0.123485D+01
               206           207           208           209           210 
      1   0.100669D+01  0.347981D+00 -0.161463D+01  0.107381D+00  0.267861D+00
      2   0.117417D+01 -0.710413D-01 -0.393562D+01  0.149019D+00  0.684065D+00
      3  -0.103492D-01 -0.153093D+01  0.380420D+01  0.166974D+01  0.160903D+00
               211           212           213           214           215 
      1   0.169700D+01 -0.838792D+00 -0.377233D+01 -0.627443D+01  0.112786D+00
      2   0.263769D+01 -0.293515D+01 -0.241036D+01 -0.100822D+02 -0.187669D+01
      3   0.459113D+01  0.113153D+02  0.217097D+01  0.127299D+01  0.225564D+01
               216           217           218           219           220 
      1   0.279818D-01  0.186525D+00 -0.920576D+00  0.669905D+00 -0.279138D+01
      2   0.546296D+00  0.119394D+01 -0.251594D+01  0.272609D+01 -0.415368D+01
      3   0.128933D+01  0.285401D+00 -0.349694D+01  0.176385D+01 -0.912886D+01
               221           222           223           224           225 
      1   0.493862D+01 -0.438463D+01  0.292781D+01 -0.298074D+01  0.337381D+01
      2   0.101423D+02 -0.971574D+01  0.837826D+01 -0.117998D+02  0.806833D+01
      3   0.239664D+02 -0.739621D+01  0.505829D+01 -0.122280D+02  0.934354D+01
               226           227           228           229           230 
      1   0.557322D+00 -0.298978D+00 -0.107382D+01  0.110183D+00 -0.160543D+00
      2   0.103914D+00 -0.362770D+01 -0.511331D+01  0.739394D+00 -0.817746D+01
      3  -0.842533D+00  0.800467D+00  0.309048D+01 -0.318010D+01  0.972377D+01
               231           232           233           234           235 
      1  -0.232847D+01  0.192747D+01 -0.203169D+00 -0.547300D+01 -0.182441D+01
      2  -0.102791D+02  0.596779D+01 -0.139614D+02 -0.314449D+02  0.398068D+00
      3   0.716567D+01  0.794038D+00  0.842667D+01  0.114508D+02 -0.154776D+02
               236           237           238           239           240 
      1  -0.125424D+01  0.212323D+00 -0.116806D+01 -0.779227D+00 -0.797807D+00
      2  -0.246949D+00  0.627397D+01 -0.855692D+00  0.242761D+00  0.296831D+01
      3  -0.104792D+02  0.192829D+01 -0.891796D+01 -0.782680D+01  0.559137D+00
               241           242           243 
      1   0.105246D+01  0.603283D+00 -0.349789D+00
      2   0.279465D+01  0.227032D+00 -0.198643D+01
      3   0.175173D+01  0.141158D+00 -0.550249D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.697169D+01  0.558129D+01 -0.902392D+01  0.246899D+01  0.204290D+02
      2   0.695212D+01 -0.186621D+02  0.123172D+02 -0.143678D+02 -0.128426D+02
      3  -0.139238D+02  0.130808D+02 -0.329329D+01  0.118988D+02 -0.758638D+01
      4   0.767422D+01  0.812279D+01  0.128154D+02  0.101994D+02 -0.411212D+00
      5  -0.221850D+02  0.120085D+02 -0.263234D+02  0.119459D+02  0.340431D+01
      6   0.739861D+01  0.699969D+01  0.119077D+02  0.729654D+01  0.716471D+01
                 6             7             8             9            10 
      1   0.988954D+01 -0.521715D+01  0.126636D+02 -0.185265D+02 -0.548702D+01
      2   0.276559D+00  0.944022D+01 -0.223320D+01  0.105484D+02  0.104393D+00
      3  -0.101661D+02 -0.422307D+01 -0.104304D+02  0.797808D+01  0.538262D+01
      4  -0.731644D+01  0.154409D+02 -0.649039D+01  0.282780D+01 -0.211842D+02
      5   0.379666D+00 -0.259900D+02  0.527754D+01 -0.877926D+01  0.103436D+02
      6  -0.286190D+01  0.114354D+02 -0.207418D+01 -0.605759D+01 -0.100263D+02
                11            12            13            14            15 
      1  -0.800485D+01  0.158005D+01  0.306871D+01 -0.259337D+02 -0.968011D+01
      2   0.115174D+02 -0.135185D+01 -0.323335D-01  0.126508D+02  0.217137D+01
      3  -0.351253D+01 -0.228204D+00 -0.303637D+01  0.132828D+02  0.750873D+01
      4  -0.126713D+02 -0.129340D+02 -0.154431D+02 -0.221110D+02  0.567832D+01
      5  -0.114296D+02  0.151997D+02 -0.132658D+02  0.739885D+00  0.643143D+01
      6   0.742587D+01 -0.277324D+01  0.211235D+01 -0.106644D+02 -0.871120D+00
                16            17            18            19            20 
      1   0.111848D+01 -0.166414D+02  0.151528D+02  0.418581D+02  0.128970D+02
      2   0.639504D+01  0.680337D+01 -0.116020D+02 -0.169319D+02 -0.119966D+02
      3  -0.751352D+01  0.983804D+01 -0.355082D+01 -0.249262D+02 -0.900388D+00
      4  -0.229096D+02  0.131463D+02  0.143654D+01  0.275330D+02 -0.558677D+01
      5   0.239627D+02  0.210073D+01 -0.954417D+01  0.120175D+02  0.328503D+01
      6  -0.389394D+01 -0.580921D+00  0.809273D+01  0.111713D+02  0.147416D+01
                21            22            23            24            25 
      1  -0.487143D+01  0.137478D+01  0.283828D+01  0.325275D+01 -0.226972D+02
      2  -0.246974D+01 -0.236836D+01 -0.642123D+01 -0.140319D+01 -0.787668D+01
      3   0.734117D+01  0.993580D+00  0.358296D+01 -0.184956D+01  0.305739D+02
      4   0.505890D+01 -0.593881D+01 -0.210047D+01 -0.469170D+01  0.143376D+02
      5  -0.694533D+01  0.640805D+01 -0.997459D+00  0.409403D+01 -0.194440D+02
      6   0.295345D+00  0.105531D+01  0.413371D+01  0.291340D+01 -0.229808D+01
                26            27            28            29            30 
      1   0.795449D+01  0.114744D+02 -0.117609D+03 -0.412909D+01  0.788033D+01
      2  -0.610671D+01  0.136754D+02  0.461999D+02 -0.780761D-01 -0.244858D+01
      3  -0.184777D+01 -0.251498D+02  0.714092D+02  0.420716D+01 -0.543175D+01
      4  -0.102170D+02  0.311010D+01 -0.181498D+02 -0.828467D+01  0.178038D+01
      5   0.326012D+01  0.163615D+02 -0.105707D+02  0.149920D+01 -0.821911D+01
      6   0.351947D+01 -0.823193D+00 -0.937980D+01 -0.332305D+01  0.117793D+01
                31            32            33            34            35 
      1   0.394721D+02  0.430868D+01  0.329335D+01  0.393645D+02  0.770646D+01
      2  -0.180380D+02 -0.338836D+01 -0.211129D+01 -0.969169D+01 -0.530941D+01
      3  -0.214341D+02 -0.920321D+00 -0.118206D+01 -0.296728D+02 -0.239705D+01
      4   0.590696D+00 -0.368313D+01 -0.174654D+01  0.383120D+01  0.518482D+01
      5  -0.257579D+01 -0.281406D+01  0.651349D+00 -0.315756D+01 -0.142685D+01
      6  -0.100610D+01 -0.950882D+01 -0.209317D+01  0.449954D+00  0.306918D+01
                36            37            38            39            40 
      1  -0.268602D+02  0.135217D+03  0.842059D+01 -0.126524D+02 -0.372778D+02
      2  -0.109119D+01 -0.486396D+02 -0.136235D+01  0.351517D+01  0.175837D+02
      3   0.279514D+02 -0.865778D+02 -0.705824D+01  0.913724D+01  0.196941D+02
      4  -0.183369D+01  0.237039D+02  0.209523D+02 -0.303146D+01  0.218736D+02
      5   0.925326D+01  0.541691D+01 -0.549352D+00  0.157402D+02  0.301257D+00
      6  -0.273606D+01  0.897152D+01  0.264664D+01 -0.333848D+01  0.208207D+01
                41            42            43            44            45 
      1   0.953164D+01  0.772850D+01 -0.356355D+02  0.297437D+00  0.443707D+01
      2  -0.878866D+01 -0.357811D+01  0.163873D+02 -0.222519D+01 -0.624081D+01
      3  -0.742981D+00 -0.415039D+01  0.192482D+02  0.192775D+01  0.180374D+01
      4   0.814507D+01  0.315380D+01 -0.106543D+02  0.123608D+01 -0.296784D+01
      5   0.553967D+01 -0.504072D+01  0.239498D+02 -0.400425D+01 -0.528147D+01
      6  -0.235170D+01  0.412470D+01 -0.104581D+02  0.503782D+01 -0.569693D+00
                46            47            48            49            50 
      1  -0.525150D+02  0.835546D+01  0.413486D+01 -0.507167D+02 -0.213618D+02
      2   0.141255D+02 -0.750370D+01 -0.561107D+01  0.766836D+01 -0.294778D+01
      3   0.383895D+02 -0.851757D+00  0.147621D+01  0.430484D+02  0.243096D+02
      4  -0.757056D+01 -0.225351D+02 -0.343858D+01 -0.727889D+02 -0.491363D+02
      5   0.398044D+01 -0.693940D+01 -0.159955D+02 -0.223922D+02 -0.734613D+01
      6  -0.100705D+02  0.188292D+01  0.276585D+01 -0.913598D+01 -0.585007D+01
                51            52            53            54            55 
      1  -0.338638D+01  0.324779D+00 -0.831819D+01 -0.229552D+01  0.351923D+02
      2   0.522824D+01 -0.405534D+01 -0.120390D+00 -0.402983D+01 -0.143214D+02
      3  -0.184186D+01  0.373056D+01  0.843858D+01  0.632535D+01 -0.208709D+02
      4  -0.151780D+01 -0.208355D+02 -0.474106D+01 -0.356293D+01  0.259917D+02
      5  -0.654123D+01  0.281260D+01 -0.432412D+01  0.133924D+01  0.766958D+01
      6  -0.673720D+01  0.683599D+00  0.374208D+01 -0.467820D+01  0.242760D+01
                56            57            58            59            60 
      1   0.122359D+02  0.228056D+01  0.780798D+02  0.613602D+01 -0.442543D+01
      2  -0.261381D+01 -0.174567D+00 -0.195916D+02  0.290498D+02  0.573431D+00
      3  -0.962205D+01 -0.210600D+01 -0.584882D+02 -0.351859D+02  0.385200D+01
      4   0.257745D+02  0.433612D+01  0.793573D+02  0.834605D+02  0.550189D+01
      5   0.558342D+01  0.128605D+02  0.109186D+02  0.118711D+02  0.174531D+02
      6   0.160424D+01  0.213029D+01  0.103598D+02  0.679967D+01  0.149071D+02
                61            62            63            64            65 
      1   0.201856D+02  0.387599D+01 -0.198042D-01 -0.298866D+02  0.255433D+02
      2  -0.753463D+01 -0.106351D+01 -0.206890D+00  0.117528D+02 -0.236530D+02
      3  -0.126509D+02 -0.281248D+01  0.226694D+00  0.181338D+02 -0.189030D+01
      4   0.162232D+02  0.909069D+01  0.202440D+02  0.230107D+02  0.937310D+01
      5   0.221547D+02  0.201010D+02  0.100489D+02 -0.162147D+02  0.167316D+02
      6   0.102542D+02  0.137289D+02  0.621798D+01  0.110819D+02 -0.139197D+02
                66            67            68            69            70 
      1  -0.118851D+02  0.162682D+02  0.305692D+02  0.195797D+02 -0.202023D+02
      2  -0.419422D+01 -0.134732D+02 -0.274717D+02 -0.131770D+02 -0.301196D+01
      3   0.160793D+02 -0.279497D+01 -0.309755D+01 -0.640264D+01  0.232142D+02
      4   0.211235D+02  0.907906D+01  0.721028D+01 -0.735068D+01  0.279192D+02
      5  -0.189433D+02  0.185459D+02 -0.525186D+01 -0.117970D+02 -0.260262D+02
      6   0.590136D+01 -0.108787D+02 -0.185463D+01  0.310561D+01  0.828013D+01
                71            72            73            74            75 
      1   0.226544D+02 -0.244782D+02 -0.480081D+00 -0.151163D+02  0.217853D+02
      2  -0.132968D+02  0.242739D+02 -0.130080D+01  0.106598D+02 -0.127400D+02
      3  -0.935760D+01  0.204324D+00  0.178088D+01  0.445651D+01 -0.904526D+01
      4  -0.117538D+02  0.139566D+01 -0.140315D+02  0.184042D+01  0.339380D+01
      5  -0.521825D+01  0.288251D+02  0.110920D+02 -0.246279D+01 -0.205026D+02
      6   0.319805D+01 -0.576737D+01  0.425751D+01 -0.694328D+01 -0.716286D+01
                76            77            78            79            80 
      1  -0.173978D+02  0.128727D+02 -0.481819D+01  0.246106D+02 -0.255352D+00
      2   0.172290D+02  0.139688D+01  0.420879D+01 -0.140455D+02  0.584752D+00
      3   0.168722D+00 -0.142696D+02  0.609400D+00 -0.105651D+02 -0.329400D+00
      4   0.963871D+01  0.364924D+02 -0.392567D+01 -0.248948D+01 -0.931806D+01
      5  -0.953917D+01  0.199263D+01 -0.126788D+02 -0.347970D+02 -0.171212D+02
      6  -0.281581D+01  0.817427D+00 -0.502473D+01 -0.143159D+02 -0.727373D+01
                81            82            83            84            85 
      1  -0.206001D+02 -0.172347D+02 -0.308098D+01 -0.141991D+02 -0.386015D+00
      2   0.136756D+02  0.148360D+02  0.826262D+01  0.135557D+02  0.348165D+01
      3   0.692447D+01  0.239866D+01 -0.518164D+01  0.643419D+00 -0.309563D+01
      4  -0.221866D+02 -0.108366D+01  0.101062D+02 -0.442900D+01  0.983494D+01
      5  -0.112534D+02 -0.719125D+01  0.218275D+01  0.136233D+01  0.571379D+01
      6  -0.938780D+01 -0.102492D+02  0.562486D+01  0.377005D+01  0.366319D+01
                86            87            88            89            90 
      1   0.119578D+02 -0.686119D+01 -0.169577D+02 -0.130030D+02  0.141952D+02
      2  -0.669252D+01  0.107443D+02  0.158360D+02  0.196561D+02 -0.162219D+02
      3  -0.526533D+01 -0.388314D+01  0.112166D+01 -0.665307D+01  0.202668D+01
      4  -0.303572D+01  0.127304D+02 -0.401243D+01  0.180935D+02 -0.133595D+01
      5   0.677353D+01 -0.261842D+01  0.334481D+01 -0.414308D+01  0.342805D+00
      6   0.186182D+02 -0.136857D+02  0.431693D+01 -0.189446D+02  0.266741D+01
                91            92            93            94            95 
      1  -0.297748D+02 -0.382620D+02 -0.622068D+00 -0.531304D+02 -0.159560D+02
      2   0.168578D+02  0.206215D+02  0.216733D+01  0.287738D+02  0.530286D+01
      3   0.129170D+02  0.176406D+02 -0.154526D+01  0.243565D+02  0.106531D+02
      4  -0.442303D+02  0.178106D+01  0.146140D+02 -0.208992D+02  0.288207D+02
      5  -0.654602D+01  0.159414D+02  0.137379D+02  0.166020D+02 -0.919085D+01
      6   0.647763D+01 -0.386957D+01 -0.570896D+01 -0.413759D+01  0.602347D+01
                96            97            98            99           100 
      1   0.142902D+02 -0.103979D+02  0.160037D+02  0.137378D+02  0.503807D+02
      2   0.112713D+00 -0.249509D-01  0.270064D+01 -0.381652D+01 -0.250110D+02
      3  -0.144029D+02  0.104229D+02 -0.187043D+02 -0.992124D+01 -0.253697D+02
      4  -0.959516D+01  0.179857D+02 -0.166696D+02  0.277423D+02  0.261006D+02
      5   0.221311D+02 -0.301995D+01  0.296657D+02  0.220016D+02 -0.222736D+02
      6  -0.644351D+01  0.290285D+01 -0.105873D+02 -0.886969D+01 -0.595211D+01
               101           102           103           104           105 
      1   0.108977D+02 -0.186963D+02  0.455439D+01  0.486331D+01 -0.655356D-01
      2  -0.312145D+01  0.985275D+01 -0.132922D+00 -0.835505D+00 -0.157653D+01
      3  -0.777625D+01  0.884358D+01 -0.442147D+01 -0.402780D+01  0.164207D+01
      4   0.147555D+02 -0.870260D+01  0.120790D+02  0.566105D+01 -0.563137D+01
      5  -0.432605D+01  0.177926D+02 -0.228078D+01 -0.556335D+01  0.378001D+01
      6  -0.188700D+01  0.553818D+01 -0.256896D+01 -0.284464D+01  0.404438D+01
               106           107           108           109           110 
      1  -0.297653D+02 -0.376309D+01  0.160309D+02  0.198534D+02  0.829524D+01
      2   0.162972D+02 -0.575529D+00 -0.114126D+02 -0.111872D+02 -0.391856D+01
      3   0.134681D+02  0.433862D+01 -0.461834D+01 -0.866624D+01 -0.437668D+01
      4  -0.156561D+02 -0.113497D+02  0.128698D+02  0.174976D+02  0.106884D+02
      5   0.246328D+02  0.829059D+01 -0.195959D+02  0.159878D+02  0.714554D+01
      6   0.794351D+01  0.513524D+01 -0.655183D+01  0.751847D+01  0.442936D+01
               111           112           113           114           115 
      1   0.723078D+01  0.631790D+01 -0.138159D+01  0.207146D+00  0.138316D+02
      2  -0.503995D+01 -0.179440D+01  0.412598D+01  0.153508D+01 -0.105750D+02
      3  -0.219083D+01 -0.452349D+01 -0.274439D+01 -0.174223D+01 -0.325662D+01
      4   0.886965D+01  0.137837D+02  0.108256D+02  0.114708D+02  0.201461D+02
      5   0.171627D+02  0.774995D+01  0.100313D+02  0.969445D+01  0.307376D+02
      6   0.650472D+01  0.661334D+01  0.796680D+01  0.926859D+01  0.143481D+02
               116           117           118           119           120 
      1   0.156652D+01  0.640267D+01 -0.301991D+01 -0.216215D+00  0.160210D+01
      2   0.791448D+00 -0.124882D+02 -0.544932D+01  0.958318D+00  0.466084D+01
      3  -0.235797D+01  0.608554D+01  0.846923D+01 -0.742103D+00 -0.626294D+01
      4   0.192863D+02  0.202724D+02 -0.215447D+01  0.370753D+01 -0.365448D+00
      5   0.161652D+02  0.366526D+02 -0.103009D+02  0.610863D+00  0.124558D+02
      6   0.129261D+02  0.190920D+02 -0.817405D+00 -0.132063D+01  0.214026D+00
               121           122           123           124           125 
      1   0.660151D+01 -0.431743D+01 -0.236620D+01  0.101900D+02  0.694747D+00
      2  -0.169595D+01 -0.370440D+00 -0.113946D+01  0.664797D+01 -0.311982D+01
      3  -0.490556D+01  0.468787D+01  0.350566D+01 -0.168380D+02  0.242507D+01
      4   0.581901D+01  0.923996D+00 -0.311211D+01 -0.450415D+00 -0.357268D+01
      5   0.184499D+01 -0.311099D+01 -0.177099D+01  0.190146D+02 -0.168973D+01
      6  -0.149823D+01  0.133559D+01  0.689969D+01  0.195243D+01  0.451530D+01
               126           127           128           129           130 
      1  -0.241681D+02 -0.338282D+01  0.792640D+01  0.562979D+01  0.500338D+01
      2  -0.189754D+02  0.322741D+01 -0.101027D+02 -0.506348D+01 -0.578396D+01
      3   0.431434D+02  0.155412D+00  0.217628D+01 -0.566301D+00  0.780587D+00
      4  -0.109251D+01 -0.610748D+01  0.109737D+01  0.309911D+01  0.248783D+01
      5  -0.244655D+02  0.197395D+00 -0.320866D+00 -0.587085D+00 -0.431438D+00
      6  -0.121017D+01  0.619416D+01 -0.400551D+01 -0.615342D+01 -0.271075D+01
               131           132           133           134           135 
      1  -0.120381D+02 -0.473431D+01  0.925491D+01 -0.906960D+01 -0.131701D+02
      2   0.141217D+02  0.475628D+01 -0.623857D+01  0.100067D+02  0.871460D+01
      3  -0.208361D+01 -0.219701D-01 -0.301634D+01 -0.937065D+00  0.445547D+01
      4  -0.953174D+00 -0.122746D+01  0.584386D+01 -0.296663D+00 -0.200438D+01
      5   0.438912D+00  0.119949D+01  0.187474D-01  0.195932D+01  0.333911D+01
      6   0.453478D+01  0.822060D+01 -0.514789D+01  0.109394D+02  0.129293D+02
               136           137           138           139           140 
      1  -0.184076D+01  0.407073D+01 -0.819474D+00  0.253370D+01 -0.323705D+02
      2   0.328583D+01 -0.267921D+01 -0.103421D+00 -0.199020D+00  0.428489D+02
      3  -0.144507D+01 -0.139152D+01  0.922895D+00 -0.233468D+01 -0.104784D+02
      4   0.452192D+01  0.764484D+01 -0.302449D+01  0.781659D+01  0.191013D+02
      5  -0.836446D+00 -0.287212D+01  0.332493D+01 -0.209512D+01 -0.854613D+01
      6  -0.340634D+01 -0.322130D+00 -0.757253D+00 -0.110709D+01 -0.270070D+02
               141           142           143           144           145 
      1   0.155907D+02 -0.505393D-01  0.224055D+02 -0.184814D+02 -0.742480D+01
      2  -0.171348D+02 -0.198778D+01 -0.235571D+02  0.133443D+02  0.642354D+01
      3   0.154414D+01  0.203832D+01  0.115151D+01  0.513711D+01  0.100126D+01
      4  -0.887277D+01 -0.413298D+01 -0.134527D+02  0.823534D+01  0.178009D+01
      5   0.557911D+01  0.298016D+01  0.895056D+01 -0.772034D+01 -0.309159D+01
      6   0.188900D+02  0.391557D+00  0.252148D+02 -0.214808D+02 -0.518739D+01
               146           147           148           149           150 
      1  -0.105774D+02  0.610113D+01 -0.846045D+01 -0.229205D+02  0.684551D+01
      2   0.117145D+02 -0.202721D+01  0.990313D+01  0.264624D+02 -0.207769D+01
      3  -0.113715D+01 -0.407391D+01 -0.144268D+01 -0.354190D+01 -0.476781D+01
      4  -0.468316D+00 -0.832512D+00  0.139973D+01 -0.834839D+01  0.269006D+01
      5  -0.435069D+01  0.270818D+01 -0.594628D+01 -0.262379D+01 -0.260976D+01
      6  -0.932228D+01  0.343761D+01 -0.631636D+01 -0.185466D+02  0.913886D+01
               151           152           153           154           155 
      1   0.158373D+01  0.705459D+00 -0.208732D+01 -0.708331D+01  0.303273D+01
      2   0.125917D+00  0.202761D+01  0.114059D+01 -0.191360D+01  0.297689D+01
      3  -0.170964D+01 -0.273307D+01  0.946733D+00  0.899691D+01 -0.600962D+01
      4  -0.865329D+00 -0.661547D+00 -0.620289D+00  0.290277D+01 -0.306925D+01
      5   0.268652D+01 -0.608759D+00 -0.172569D+00 -0.219125D+01  0.842112D+00
      6   0.148374D+01  0.502697D+01 -0.187708D+01  0.247749D+01 -0.554126D+01
               156           157           158           159           160 
      1   0.974864D+01  0.486754D+01 -0.926318D+01 -0.101745D+02  0.588596D+01
      2   0.215561D+01  0.113347D+01  0.192522D+01 -0.404233D+01  0.138889D+01
      3  -0.119043D+02 -0.600102D+01  0.733796D+01  0.142168D+02 -0.727486D+01
      4  -0.329822D+01 -0.356033D+01  0.659833D+01  0.397161D+01 -0.327976D+01
      5   0.360241D+01  0.183179D+01 -0.820385D+00  0.378491D+01  0.516728D+01
      6  -0.279601D+01 -0.437594D+01  0.822778D+01  0.542408D+01 -0.320422D+01
               161           162           163           164           165 
      1  -0.629606D+01 -0.102004D+02  0.166718D+02 -0.168728D+01  0.403333D+01
      2  -0.226037D+01 -0.663540D+01 -0.185235D+02  0.328532D+01 -0.159506D+02
      3   0.855644D+01  0.168358D+02  0.185171D+01 -0.159804D+01  0.119173D+02
      4   0.281886D+01  0.365412D+01 -0.133580D+02  0.960713D+01 -0.101679D+02
      5  -0.303157D+00  0.189352D+01  0.341780D+02 -0.101887D+02  0.320062D+02
      6   0.569615D+01  0.440675D+01 -0.838468D+01  0.715109D+01 -0.978551D+01
               166           167           168           169           170 
      1  -0.926364D+00 -0.169594D+01  0.106861D+01  0.453174D+01  0.940028D+00
      2   0.155881D+01  0.932388D-01  0.174383D+00 -0.136080D+02  0.186723D+01
      3  -0.632445D+00  0.160271D+01 -0.124299D+01  0.907621D+01 -0.280725D+01
      4   0.703186D+01 -0.568922D+01  0.708873D+01 -0.805438D+01  0.596807D+01
      5  -0.562218D+01  0.721044D+01 -0.532957D+01  0.259321D+02 -0.825716D+01
      6   0.495054D+01 -0.584594D+01  0.792412D+01 -0.751980D+01  0.723213D+01
               171           172           173           174           175 
      1  -0.233201D+01  0.175947D+02 -0.188554D+01 -0.104417D+02  0.619376D+01
      2  -0.175577D+02 -0.129251D+02  0.852425D+00  0.109777D+02 -0.434652D+01
      3   0.198897D+02 -0.466959D+01  0.103312D+01 -0.536033D+00 -0.184725D+01
      4  -0.855470D+01 -0.529030D+01  0.287268D+01  0.719013D+00  0.946294D+00
      5   0.304803D+02 -0.151310D+02 -0.166834D+01  0.198009D+02 -0.724360D+01
      6  -0.104244D+02  0.263299D+01 -0.189212D-02 -0.511412D+01  0.257034D+00
               176           177           178           179           180 
      1  -0.179129D+01 -0.528372D+01 -0.141115D+02 -0.265352D+01  0.102149D+02
      2  -0.111185D+00  0.767601D+01  0.149667D+02  0.506725D+01 -0.246705D+02
      3   0.190248D+01 -0.239229D+01 -0.855164D+00 -0.241373D+01  0.144556D+02
      4   0.399635D+01 -0.492625D+01  0.403325D+01 -0.856498D+01 -0.363968D+01
      5  -0.533040D+01  0.100438D+02  0.277511D+02  0.170836D+00 -0.471905D+02
      6  -0.226843D+00  0.173504D+01 -0.763501D+01  0.480047D+01  0.145337D+02
               181           182           183           184           185 
      1  -0.695150D+01 -0.188319D+02 -0.196122D+01 -0.132403D+02 -0.336847D+02
      2   0.733341D+01  0.204667D+02  0.235067D+01  0.913973D+01  0.462307D+02
      3  -0.381909D+00 -0.163480D+01 -0.389447D+00  0.410058D+01 -0.125460D+02
      4  -0.180460D+00 -0.773626D+01 -0.358580D+01  0.550418D+01 -0.317111D+02
      5   0.290167D+01 -0.215898D+01 -0.925045D+00  0.764931D+00 -0.368242D+01
      6   0.760748D+00  0.599500D+01  0.403434D+01  0.199228D+01  0.126843D+02
               186           187           188           189           190 
      1  -0.696609D+01  0.681812D+00 -0.702391D+01 -0.347032D+01  0.665916D+02
      2   0.636107D+01  0.109256D+01  0.499628D+01  0.266502D+01 -0.279317D+02
      3   0.605021D+00 -0.177437D+01  0.202763D+01  0.805300D+00 -0.386599D+02
      4  -0.462650D+01 -0.251671D+01 -0.210930D+01 -0.395615D+01 -0.398220D+02
      5  -0.463160D+01  0.337652D+01 -0.405009D+01 -0.473511D+01  0.159894D+02
      6   0.846242D+01  0.500217D+00  0.838342D+01  0.442581D+01 -0.715646D+01
               191           192           193           194           195 
      1  -0.193757D+02  0.160505D+02 -0.109265D+02  0.534557D+01 -0.408701D+01
      2   0.463157D+01 -0.566365D+01  0.221157D+00  0.408503D+01  0.367213D+00
      3   0.147442D+02 -0.103869D+02  0.107053D+02 -0.943060D+01  0.371979D+01
      4   0.215451D+02 -0.102762D+02  0.187702D+02 -0.155369D+02  0.661867D+01
      5  -0.581598D+01  0.157760D+02 -0.488063D+01  0.484325D+01 -0.196727D+01
      6   0.370761D+01 -0.671830D+01  0.351095D+01 -0.180644D+01  0.294749D+01
               196           197           198           199           200 
      1   0.304570D+02 -0.959584D+01  0.139503D+02  0.364130D+00  0.378042D-01
      2  -0.112184D+02  0.112197D+01 -0.857399D+01 -0.100880D+01  0.204253D+00
      3  -0.192386D+02  0.847387D+01 -0.537627D+01  0.644669D+00 -0.242057D+00
      4  -0.229626D+02  0.162868D+02 -0.960776D+01  0.462577D+00  0.239817D+01
      5   0.196860D+02 -0.640546D+01  0.132777D+02  0.316128D+00  0.149820D+01
      6  -0.844312D+01  0.422763D+01 -0.669736D+01  0.252235D+01  0.488472D+00
               201           202           203           204           205 
      1   0.639246D+00  0.505533D+01 -0.178560D+02 -0.807487D+01  0.187623D+01
      2  -0.533611D+00 -0.321196D+01  0.164168D+02  0.355065D+01 -0.338590D+01
      3  -0.105634D+00 -0.184338D+01  0.143912D+01  0.452421D+01  0.150967D+01
      4   0.107195D+01  0.181356D+01  0.505073D+01  0.193453D+01  0.211083D+01
      5   0.164010D+01  0.104679D+01  0.278888D+01  0.235391D+01  0.216546D+01
      6   0.824790D+00 -0.715344D+00  0.117018D+02  0.739179D+01  0.203582D+01
               206           207           208           209           210 
      1  -0.544542D+01 -0.269030D+01  0.124038D+01 -0.410928D+01 -0.161460D+01
      2   0.230675D+01  0.143511D+01  0.115047D+01  0.246735D+01  0.676458D+00
      3   0.313867D+01  0.125519D+01 -0.239085D+01  0.164192D+01  0.938143D+00
      4   0.726212D+00  0.127106D+01 -0.333117D+01  0.371953D+01  0.133090D+01
      5   0.213818D+01  0.103117D+01 -0.210192D+01  0.101608D+01  0.661693D+00
      6   0.560387D+01  0.439214D+01  0.646503D+00 -0.967756D+00 -0.607550D-01
               211           212           213           214           215 
      1  -0.346236D+01 -0.150785D+02 -0.211367D+01 -0.292738D+01 -0.228973D+01
      2   0.503921D+00  0.215085D+02  0.271261D+01 -0.328090D+00  0.360352D+01
      3   0.295844D+01 -0.643003D+01 -0.598947D+00  0.325547D+01 -0.131379D+01
      4   0.607696D+01 -0.176617D+02 -0.326369D+01  0.366392D+01 -0.454137D+01
      5   0.169880D+01 -0.242911D+01 -0.249776D+01 -0.208831D+01 -0.172933D+01
      6  -0.116264D+01  0.116164D+01  0.391888D+01  0.183978D+01  0.279285D+01
               216           217           218           219           220 
      1  -0.318822D+01  0.177173D+02 -0.656722D+01  0.633766D+01 -0.213862D+02
      2   0.260249D+01 -0.608614D+01  0.139310D+01 -0.250903D+01  0.484755D+01
      3   0.585725D+00 -0.116312D+02  0.517412D+01 -0.382862D+01  0.165386D+02
      4  -0.229228D+01 -0.808799D+01  0.104261D+02 -0.666381D+01  0.322489D+02
      5  -0.909973D+00  0.741670D+01 -0.598404D+01  0.412823D+01 -0.534745D+01
      6   0.148676D+01 -0.311096D+01  0.111926D+01 -0.509428D+00  0.317501D+01
               221           222           223           224           225 
      1   0.965357D+01 -0.115757D+00  0.194165D+02 -0.677378D+01  0.157261D+01
      2   0.102310D+02 -0.516556D+01 -0.709768D+01 -0.318293D+01 -0.752475D-01
      3  -0.198846D+02  0.528132D+01 -0.123189D+02  0.995671D+01 -0.149736D+01
      4  -0.527924D+02  0.151365D+02 -0.182053D+02  0.262875D+02 -0.195980D+02
      5   0.165007D+02 -0.188787D+02  0.135200D+02 -0.208791D+02  0.168612D+02
      6  -0.751426D+01  0.757470D+01 -0.498143D+01  0.964071D+01 -0.680361D+01
               226           227           228           229           230 
      1   0.204703D+01 -0.490215D+00 -0.905293D+01 -0.786098D+01 -0.477511D+00
      2  -0.205185D+01 -0.725878D-01  0.241940D+01  0.348965D+01  0.120255D+01
      3   0.482065D-02  0.562802D+00  0.663353D+01  0.437133D+01 -0.725043D+00
      4   0.349338D+01 -0.173464D+01 -0.242452D+01  0.131482D+02 -0.201196D+02
      5  -0.254292D+01 -0.308891D+01 -0.289124D+01  0.365179D+01 -0.126603D+02
      6   0.196421D+01  0.231324D+01  0.239072D+01 -0.195963D+01  0.763218D+01
               231           232           233           234           235 
      1  -0.542860D+01 -0.189913D+02 -0.559299D+01 -0.120219D+02  0.999188D+02
      2   0.135888D+01  0.130752D+02 -0.743365D+00 -0.977698D+01 -0.534318D+02
      3   0.406972D+01  0.591610D+01  0.633635D+01  0.217989D+02 -0.464870D+02
      4  -0.128650D+02  0.758365D+01 -0.152172D+02 -0.209236D+02  0.169561D+02
      5  -0.175707D+02  0.174100D+02 -0.224652D+02 -0.522857D+02 -0.121439D+02
      6   0.107647D+02 -0.429410D+01  0.121597D+02  0.175396D+02 -0.276177D+01
               236           237           238           239           240 
      1   0.211017D+02 -0.694611D+01  0.452807D+02  0.178465D+02 -0.470093D+01
      2  -0.122784D+02  0.510819D+01 -0.244361D+02 -0.823372D+01  0.267129D+01
      3  -0.882329D+01  0.183792D+01 -0.208446D+02 -0.961275D+01  0.202964D+01
      4   0.153354D+02 -0.273349D+01  0.208275D+02  0.140504D+02 -0.112025D+01
      5  -0.388420D+01  0.133693D+02 -0.740406D+01 -0.176737D+01  0.635604D+01
      6  -0.143838D+01 -0.145319D-01 -0.249337D+01 -0.247609D+01  0.205843D+01
               241           242           243 
      1  -0.248358D+01 -0.228287D+01  0.942354D+01
      2   0.290308D+01  0.724258D+00 -0.669833D+01
      3  -0.419499D+00  0.155862D+01 -0.272521D+01
      4  -0.209454D+01  0.830883D+00  0.111710D+01
      5   0.149164D+02  0.159242D+01 -0.558803D+01
      6   0.419615D+00  0.253210D+01  0.455274D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:03:29 2021, MaxMem=  5368709120 cpu:           10045.4 elap:            1259.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12370 -10.27313 -10.20682 -10.20498 -10.19932
 Alpha  occ. eigenvalues --  -10.19015 -10.18950 -10.18923 -10.18611 -10.17979
 Alpha  occ. eigenvalues --  -10.17874  -1.02778  -0.86821  -0.79225  -0.74844
 Alpha  occ. eigenvalues --   -0.73935  -0.68957  -0.67770  -0.61752  -0.59258
 Alpha  occ. eigenvalues --   -0.53505  -0.51802  -0.49469  -0.47848  -0.46841
 Alpha  occ. eigenvalues --   -0.45074  -0.44462  -0.43399  -0.42473  -0.41527
 Alpha  occ. eigenvalues --   -0.39738  -0.39665  -0.39026  -0.37708  -0.36766
 Alpha  occ. eigenvalues --   -0.36297  -0.34121  -0.32906  -0.31902  -0.30558
 Alpha  occ. eigenvalues --   -0.26833  -0.25377
 Alpha virt. eigenvalues --   -0.06139   0.01074   0.01947   0.03405   0.03547
 Alpha virt. eigenvalues --    0.04637   0.05242   0.05838   0.06359   0.07684
 Alpha virt. eigenvalues --    0.08023   0.08218   0.09153   0.09843   0.10721
 Alpha virt. eigenvalues --    0.10838   0.11364   0.11797   0.11904   0.12902
 Alpha virt. eigenvalues --    0.13190   0.13627   0.14664   0.14836   0.15134
 Alpha virt. eigenvalues --    0.15375   0.16052   0.16854   0.18246   0.18334
 Alpha virt. eigenvalues --    0.19372   0.19640   0.20391   0.21003   0.21571
 Alpha virt. eigenvalues --    0.21954   0.22317   0.23191   0.24115   0.24799
 Alpha virt. eigenvalues --    0.25303   0.26114   0.26913   0.27104   0.28471
 Alpha virt. eigenvalues --    0.29030   0.29095   0.29785   0.30844   0.31076
 Alpha virt. eigenvalues --    0.31545   0.32121   0.32610   0.32685   0.33140
 Alpha virt. eigenvalues --    0.33610   0.33772   0.33991   0.34432   0.34715
 Alpha virt. eigenvalues --    0.34814   0.35518   0.35632   0.35976   0.36013
 Alpha virt. eigenvalues --    0.36985   0.37148   0.37435   0.37975   0.38266
 Alpha virt. eigenvalues --    0.38668   0.39081   0.39797   0.40270   0.40640
 Alpha virt. eigenvalues --    0.41152   0.41400   0.41845   0.42678   0.43154
 Alpha virt. eigenvalues --    0.43179   0.44195   0.44397   0.45492   0.45760
 Alpha virt. eigenvalues --    0.46412   0.46839   0.47111   0.47844   0.47976
 Alpha virt. eigenvalues --    0.48393   0.48881   0.49158   0.49395   0.49616
 Alpha virt. eigenvalues --    0.50757   0.50979   0.51197   0.51689   0.52007
 Alpha virt. eigenvalues --    0.52925   0.53124   0.53543   0.54101   0.54886
 Alpha virt. eigenvalues --    0.55563   0.55680   0.56164   0.56467   0.56969
 Alpha virt. eigenvalues --    0.57970   0.58522   0.59209   0.60057   0.60413
 Alpha virt. eigenvalues --    0.61181   0.61658   0.61887   0.62395   0.63456
 Alpha virt. eigenvalues --    0.63981   0.64879   0.65278   0.65572   0.67008
 Alpha virt. eigenvalues --    0.67609   0.68074   0.68641   0.69022   0.70109
 Alpha virt. eigenvalues --    0.71245   0.72229   0.73707   0.74464   0.75028
 Alpha virt. eigenvalues --    0.75614   0.75954   0.77037   0.78189   0.78927
 Alpha virt. eigenvalues --    0.80587   0.81090   0.82056   0.83397   0.87174
 Alpha virt. eigenvalues --    0.89053   0.89304   0.90531   0.91708   0.93053
 Alpha virt. eigenvalues --    0.94030   0.94760   0.95983   0.97293   0.97368
 Alpha virt. eigenvalues --    0.97971   0.98745   0.99046   1.00511   1.01197
 Alpha virt. eigenvalues --    1.01395   1.02998   1.03414   1.04108   1.04759
 Alpha virt. eigenvalues --    1.05324   1.06179   1.07891   1.09104   1.09352
 Alpha virt. eigenvalues --    1.12225   1.14790   1.15893   1.17175   1.18050
 Alpha virt. eigenvalues --    1.19018   1.20757   1.21841   1.23302   1.24956
 Alpha virt. eigenvalues --    1.25455   1.26632   1.28526   1.30830   1.31563
 Alpha virt. eigenvalues --    1.32638   1.35707   1.36392   1.36465   1.36825
 Alpha virt. eigenvalues --    1.37547   1.39112   1.41378   1.42169   1.43547
 Alpha virt. eigenvalues --    1.45449   1.49192   1.50935   1.52894   1.54479
 Alpha virt. eigenvalues --    1.55577   1.56947   1.58732   1.60543   1.61269
 Alpha virt. eigenvalues --    1.62772   1.63156   1.65581   1.66314   1.67882
 Alpha virt. eigenvalues --    1.68102   1.70175   1.72176   1.73272   1.74939
 Alpha virt. eigenvalues --    1.76996   1.77911   1.78144   1.80022   1.81856
 Alpha virt. eigenvalues --    1.83840   1.84554   1.85311   1.86543   1.87954
 Alpha virt. eigenvalues --    1.89191   1.90634   1.91724   1.93437   1.95006
 Alpha virt. eigenvalues --    1.96236   1.97520   1.98757   1.99392   2.01019
 Alpha virt. eigenvalues --    2.02634   2.03919   2.04946   2.05170   2.06377
 Alpha virt. eigenvalues --    2.06973   2.09276   2.11622   2.13143   2.13548
 Alpha virt. eigenvalues --    2.15643   2.17274   2.17793   2.18465   2.20479
 Alpha virt. eigenvalues --    2.22112   2.23188   2.25197   2.25895   2.26389
 Alpha virt. eigenvalues --    2.28648   2.29066   2.30856   2.32542   2.33811
 Alpha virt. eigenvalues --    2.36737   2.39382   2.40765   2.42508   2.43283
 Alpha virt. eigenvalues --    2.44884   2.47510   2.49598   2.51983   2.52595
 Alpha virt. eigenvalues --    2.53607   2.56033   2.57143   2.58347   2.61381
 Alpha virt. eigenvalues --    2.63136   2.64034   2.65683   2.68660   2.69702
 Alpha virt. eigenvalues --    2.72171   2.73083   2.78029   2.82645   2.83900
 Alpha virt. eigenvalues --    2.87156   2.89179   2.91703   2.92711   2.96670
 Alpha virt. eigenvalues --    2.98472   3.02138   3.02491   3.02914   3.04953
 Alpha virt. eigenvalues --    3.08081   3.11217   3.13280   3.13829   3.15136
 Alpha virt. eigenvalues --    3.18142   3.19017   3.20521   3.20992   3.21944
 Alpha virt. eigenvalues --    3.27792   3.29217   3.53951   3.82607
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.284092  -0.844796   0.093174  -0.157151  -0.013899   0.006305
     2  C   -0.844796  12.390048  -0.680395   0.054961   0.099534   0.007658
     3  C    0.093174  -0.680395   6.813006  -0.791568  -0.040374   0.062919
     4  C   -0.157151   0.054961  -0.791568   7.524738  -0.302141  -0.035933
     5  C   -0.013899   0.099534  -0.040374  -0.302141   8.333594  -0.348163
     6  C    0.006305   0.007658   0.062919  -0.035933  -0.348163   5.851110
     7  O    0.003471  -0.008855   0.028835  -0.057335  -0.146317   0.303728
     8  C   -0.260268  -1.028167  -0.025633  -0.012652  -0.007336   0.000179
     9  C    0.058523  -0.422147   0.077812  -0.015392  -0.011472  -0.000233
    10  C   -0.066106   0.138344  -0.088907   0.047250  -0.049708   0.000353
    11  C    0.000223  -0.000892  -0.000458   0.062429  -0.075793   0.381704
    12  H    0.090944  -0.083837   0.122235  -0.018694   0.003085  -0.000024
    13  H   -0.141463  -0.033803   0.032098  -0.012364   0.001701  -0.000035
    14  H    0.077001  -0.022051  -0.077778  -0.147901   0.043458   0.004334
    15  H    0.027779   0.069138   0.099572  -0.132698   0.044993   0.000361
    16  H   -0.022600  -0.053087   0.053567   0.024031   0.001945   0.002157
    17  H   -0.184688   0.202273  -0.038707   0.065999   0.001358  -0.001861
    18  H    0.211691   0.287838  -0.083609  -0.026786  -0.015548  -0.004809
    19  H   -0.132887   0.254805   0.018142  -0.002698   0.000836   0.000273
    20  H    0.000365  -0.073534  -0.060309   0.002739  -0.002004   0.000065
    21  H    0.012059   0.280587   0.052883  -0.005807  -0.000818   0.000386
    22  H    0.039065   0.275350   0.019039   0.001203  -0.000146   0.000009
    23  H    0.040825  -0.056267  -0.015344  -0.153195  -0.729757  -0.048822
    24  H    0.002870  -0.015158  -0.090961  -0.097374   0.027104  -0.489312
    25  H   -0.000016  -0.000170   0.002104  -0.007119  -0.014907   0.118095
    26  H    0.000202  -0.000342   0.002889  -0.007792   0.004490   0.102294
    27  H   -0.000036   0.000022  -0.000658  -0.001842   0.067985   0.138806
               7          8          9         10         11         12
     1  C    0.003471  -0.260268   0.058523  -0.066106   0.000223   0.090944
     2  C   -0.008855  -1.028167  -0.422147   0.138344  -0.000892  -0.083837
     3  C    0.028835  -0.025633   0.077812  -0.088907  -0.000458   0.122235
     4  C   -0.057335  -0.012652  -0.015392   0.047250   0.062429  -0.018694
     5  C   -0.146317  -0.007336  -0.011472  -0.049708  -0.075793   0.003085
     6  C    0.303728   0.000179  -0.000233   0.000353   0.381704  -0.000024
     7  O    8.190206  -0.000173   0.000387  -0.000516  -0.012684   0.000066
     8  C   -0.000173   5.836211  -0.116233   0.037720   0.000013  -0.098480
     9  C    0.000387  -0.116233   4.890355   0.132785  -0.000001   0.127118
    10  C   -0.000516   0.037720   0.132785   5.018919  -0.000521  -0.167901
    11  C   -0.012684   0.000013  -0.000001  -0.000521   4.233525   0.000006
    12  H    0.000066  -0.098480   0.127118  -0.167901   0.000006   1.583662
    13  H    0.000035   0.112154  -0.041657   0.157569  -0.000009  -0.522477
    14  H    0.000001  -0.122519   0.156914  -0.268210   0.000067   0.061248
    15  H   -0.000425  -0.009171   0.016597  -0.094514  -0.000009   0.136829
    16  H   -0.000327  -0.009513  -0.040274   0.226134  -0.000512  -0.227151
    17  H   -0.001464   0.010435   0.014392   0.000837  -0.000077  -0.003463
    18  H    0.000220  -0.005586  -0.038656   0.004321   0.000173   0.002677
    19  H    0.000016   0.036907   0.000035  -0.003208  -0.000015  -0.006110
    20  H   -0.000032   0.496960  -0.032795   0.023045   0.000000  -0.010372
    21  H    0.000254  -0.158189   0.003517  -0.011248  -0.000006   0.002357
    22  H   -0.000000  -0.177871   0.044381  -0.009321  -0.000001  -0.007910
    23  H    0.065900  -0.017253   0.002614   0.020420   0.007976   0.000824
    24  H    0.050984  -0.001773  -0.000244   0.011432  -0.065114   0.001631
    25  H    0.000871   0.000001   0.000011  -0.000259   0.211784   0.000001
    26  H    0.002406   0.000002   0.000012  -0.000486   0.205098   0.000000
    27  H   -0.002715  -0.000001  -0.000001   0.000039   0.206373  -0.000000
              13         14         15         16         17         18
     1  C   -0.141463   0.077001   0.027779  -0.022600  -0.184688   0.211691
     2  C   -0.033803  -0.022051   0.069138  -0.053087   0.202273   0.287838
     3  C    0.032098  -0.077778   0.099572   0.053567  -0.038707  -0.083609
     4  C   -0.012364  -0.147901  -0.132698   0.024031   0.065999  -0.026786
     5  C    0.001701   0.043458   0.044993   0.001945   0.001358  -0.015548
     6  C   -0.000035   0.004334   0.000361   0.002157  -0.001861  -0.004809
     7  O    0.000035   0.000001  -0.000425  -0.000327  -0.001464   0.000220
     8  C    0.112154  -0.122519  -0.009171  -0.009513   0.010435  -0.005586
     9  C   -0.041657   0.156914   0.016597  -0.040274   0.014392  -0.038656
    10  C    0.157569  -0.268210  -0.094514   0.226134   0.000837   0.004321
    11  C   -0.000009   0.000067  -0.000009  -0.000512  -0.000077   0.000173
    12  H   -0.522477   0.061248   0.136829  -0.227151  -0.003463   0.002677
    13  H    1.975726  -0.034757  -0.239913   0.129477   0.002384  -0.028249
    14  H   -0.034757   1.708510   0.098744  -0.175994  -0.009277   0.002044
    15  H   -0.239913   0.098744   1.455419  -0.433862  -0.006349   0.016700
    16  H    0.129477  -0.175994  -0.433862   2.180786   0.002085  -0.004939
    17  H    0.002384  -0.009277  -0.006349   0.002085   0.957454  -0.031226
    18  H   -0.028249   0.002044   0.016700  -0.004939  -0.031226   0.936430
    19  H    0.032661  -0.004255   0.008045   0.002623  -0.163917  -0.121776
    20  H    0.005623  -0.026002  -0.000253   0.001712   0.000951  -0.003108
    21  H   -0.000983  -0.001794  -0.000435   0.000538   0.029988  -0.002314
    22  H   -0.003526   0.009299  -0.000306   0.000240  -0.021398  -0.003127
    23  H    0.000029  -0.123410  -0.006259  -0.002905   0.000320   0.014854
    24  H   -0.002564  -0.003447   0.029041  -0.029917   0.002931   0.003939
    25  H   -0.000001  -0.000001   0.000043  -0.000092  -0.000007   0.000050
    26  H    0.000000   0.000043  -0.000003  -0.000085  -0.000045   0.000081
    27  H   -0.000000  -0.000001   0.000023   0.000002   0.000016   0.000013
              19         20         21         22         23         24
     1  C   -0.132887   0.000365   0.012059   0.039065   0.040825   0.002870
     2  C    0.254805  -0.073534   0.280587   0.275350  -0.056267  -0.015158
     3  C    0.018142  -0.060309   0.052883   0.019039  -0.015344  -0.090961
     4  C   -0.002698   0.002739  -0.005807   0.001203  -0.153195  -0.097374
     5  C    0.000836  -0.002004  -0.000818  -0.000146  -0.729757   0.027104
     6  C    0.000273   0.000065   0.000386   0.000009  -0.048822  -0.489312
     7  O    0.000016  -0.000032   0.000254  -0.000000   0.065900   0.050984
     8  C    0.036907   0.496960  -0.158189  -0.177871  -0.017253  -0.001773
     9  C    0.000035  -0.032795   0.003517   0.044381   0.002614  -0.000244
    10  C   -0.003208   0.023045  -0.011248  -0.009321   0.020420   0.011432
    11  C   -0.000015   0.000000  -0.000006  -0.000001   0.007976  -0.065114
    12  H   -0.006110  -0.010372   0.002357  -0.007910   0.000824   0.001631
    13  H    0.032661   0.005623  -0.000983  -0.003526   0.000029  -0.002564
    14  H   -0.004255  -0.026002  -0.001794   0.009299  -0.123410  -0.003447
    15  H    0.008045  -0.000253  -0.000435  -0.000306  -0.006259   0.029041
    16  H    0.002623   0.001712   0.000538   0.000240  -0.002905  -0.029917
    17  H   -0.163917   0.000951   0.029988  -0.021398   0.000320   0.002931
    18  H   -0.121776  -0.003108  -0.002314  -0.003127   0.014854   0.003939
    19  H    1.082243   0.004939  -0.024911   0.020697  -0.000167  -0.000459
    20  H    0.004939   0.932181  -0.105383  -0.098880  -0.002630  -0.000197
    21  H   -0.024911  -0.105383   0.856922  -0.012365  -0.015950  -0.000096
    22  H    0.020697  -0.098880  -0.012365   0.897469   0.001612  -0.000019
    23  H   -0.000167  -0.002630  -0.015950   0.001612   1.804697   0.107524
    24  H   -0.000459  -0.000197  -0.000096  -0.000019   0.107524   1.527226
    25  H    0.000001   0.000000   0.000000   0.000000   0.000255  -0.034056
    26  H    0.000000   0.000000   0.000000   0.000000   0.000329  -0.031857
    27  H    0.000000   0.000000  -0.000000   0.000000  -0.000423   0.020208
              25         26         27
     1  C   -0.000016   0.000202  -0.000036
     2  C   -0.000170  -0.000342   0.000022
     3  C    0.002104   0.002889  -0.000658
     4  C   -0.007119  -0.007792  -0.001842
     5  C   -0.014907   0.004490   0.067985
     6  C    0.118095   0.102294   0.138806
     7  O    0.000871   0.002406  -0.002715
     8  C    0.000001   0.000002  -0.000001
     9  C    0.000011   0.000012  -0.000001
    10  C   -0.000259  -0.000486   0.000039
    11  C    0.211784   0.205098   0.206373
    12  H    0.000001   0.000000  -0.000000
    13  H   -0.000001   0.000000  -0.000000
    14  H   -0.000001   0.000043  -0.000001
    15  H    0.000043  -0.000003   0.000023
    16  H   -0.000092  -0.000085   0.000002
    17  H   -0.000007  -0.000045   0.000016
    18  H    0.000050   0.000081   0.000013
    19  H    0.000001   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000000   0.000000   0.000000
    23  H    0.000255   0.000329  -0.000423
    24  H   -0.034056  -0.031857   0.020208
    25  H    0.645883   0.054169  -0.014850
    26  H    0.054169   0.630175  -0.012163
    27  H   -0.014850  -0.012163   0.801060
 Mulliken charges:
               1
     1  C    1.875323
     2  C   -4.737055
     3  C    0.516428
     4  C    0.203093
     5  C   -0.871701
     6  C   -0.051543
     7  O   -0.416538
     8  C    1.520235
     9  C    1.193649
    10  C    0.941737
    11  C    0.846723
    12  H    0.013737
    13  H   -0.387657
    14  H   -0.144265
    15  H   -0.079087
    16  H   -0.624039
    17  H    0.171055
    18  H   -0.111297
    19  H   -0.001817
    20  H   -0.053082
    21  H    0.100807
    22  H    0.026503
    23  H    0.104203
    24  H    0.077655
    25  H    0.038210
    26  H    0.050581
    27  H   -0.201859
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.933264
     2  C   -4.737055
     3  C    0.372162
     4  C    0.307296
     5  C   -0.794046
     6  C   -0.051543
     7  O   -0.416538
     8  C    1.594464
     9  C    0.819729
    10  C    0.238612
    11  C    0.733654
 Electronic spatial extent (au):  <R**2>=           2459.0267
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9754    Y=              2.5859    Z=              0.4642  Tot=              3.2870
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -71.8599   YY=            -72.9025   ZZ=            -69.0207
   XY=             -9.1754   XZ=             -2.9827   YZ=             -0.4511
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5988   YY=             -1.6415   ZZ=              2.2403
   XY=             -9.1754   XZ=             -2.9827   YZ=             -0.4511
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.9297  YYY=              2.1270  ZZZ=             -1.5471  XYY=              7.3386
  XXY=             27.4399  XXZ=              8.0635  XZZ=             -1.4035  YZZ=              0.2476
  YYZ=              0.7195  XYZ=              1.4004
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2526.9025 YYYY=           -550.4273 ZZZZ=           -307.1684 XXXY=            -77.0730
 XXXZ=            -20.3323 YYYX=            -10.9363 YYYZ=             -1.8265 ZZZX=             -4.0022
 ZZZY=              4.0405 XXYY=           -560.4817 XXZZ=           -466.3363 YYZZ=           -140.2269
 XXYZ=            -15.7917 YYXZ=             -2.9597 ZZXY=              4.7044
 N-N= 6.110030257980D+02 E-N=-2.300224647067D+03  KE= 4.602609649774D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:03:30 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.9081    2.9071       -1.4782   -1.4768
 2     -2.9081   -2.9071       -1.1529   -1.1523      -26.0198  -26.0176
 3      1.4782    1.4768       34.8520   34.8498        1.1521    1.1523
 4      1.1529    1.1523       -0.0000    0.0000        1.4766    1.4768
 5     -8.8322   -8.8322       -1.4766   -1.4768        2.9054    2.9071
 6     -1.1521   -1.1523       -2.9054   -2.9071       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -8.7212   -8.7212       -4.4303   -4.4303
 2      3.4570    3.4570       -0.0000    0.0000       -4.4303   -4.4303
 3      3.4570    3.4570       -8.7212   -8.7212       -0.0000    0.0000
 4     -8.7212   -8.7212       -3.4570   -3.4570      -78.0527  -78.0527
 5      4.4303    4.4303      104.5494  104.5494        3.4570    3.4570
 6    -26.4967  -26.4967       -4.4303   -4.4303        8.7212    8.7212
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0453    0.0000      -11.6318  -11.6282        5.9927    5.9071
 2     11.6159   11.6282        4.5610    4.6093      104.1326  104.0702
 3     -5.9462   -5.9071     -139.4557 -139.3991       -4.5800   -4.6093
 4     -4.6091   -4.6093        0.0154    0.0000       -5.9192   -5.9071
 5     35.4337   35.3289        5.9002    5.9071      -11.6053  -11.6282
 6      4.5366    4.6093       11.7237   11.6282        0.0275    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0767    0.0000       17.1235   17.0066      -44.6703  -44.6377
 2    -16.9903  -17.0066       18.5419   18.3302       20.7134   20.6578
 3     44.6653   44.6377       26.0441   26.0494      -18.2002  -18.3302
 4    -18.3583  -18.3302        0.0232    0.0000       44.6402   44.6377
 5    -46.6204  -46.7072      -44.8068  -44.6377       16.9878   17.0066
 6     18.3407   18.3302      -17.0521  -17.0066        0.0342    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -36.2766  -36.2534        8.5147    8.4760       34.0124   34.0560
 2    -55.3999  -55.3588        8.2434    8.1673       33.9784   34.0560
 3    -55.4241  -55.3588        8.5449    8.4760       55.1698   55.2186
 4      0.4164    0.3086       19.5761   19.1054       36.0915   35.9413
 5     21.1691   21.1626       45.8947   45.7264      -18.9344  -19.1054
 6    -81.6350  -81.6678      -21.5897  -21.1626       -0.3133   -0.3086
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.2215                 0.9090                 0.1704
  Dep-P Fr= 1--      0.7493                 0.6795                 0.6683
  Dep-U Fr= 1--      0.8567                 0.8092                 0.8011
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0002
 Beta2  Fr= 1--      0.1744                 0.1226                 0.0227
 AlphaG Fr= 1--      0.0000                -0.0147                 0.0011
 Gamma2 Fr= 1--      0.8777                 0.0141                -0.2327
 Delta2 Fr= 1--      0.4534                 0.2154                -0.1161
 Raman1 Fr= 1--       4.886                  3.636                  0.681
 ROA1   Fr= 1--      98.772                  8.247                -26.052
 CID1   Fr= 1--      20.215                  2.268                -38.233
 Raman2 Fr= 1--       2.093                  1.471                  0.273
 ROA2   Fr= 1--      17.438                 -1.385                 -4.656
 CID2   Fr= 1--       8.332                 -0.941                -17.058
 Raman3 Fr= 1--       4.186                  2.942                  0.546
 ROA3   Fr= 1--      98.772                  8.247                -26.052
 CID3   Fr= 1--      23.596                  2.803                -47.723
 RC180  Fr= 1--       0.713                  0.618                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.4324                 1.1469                 0.5728
  Dep-P Fr= 1--      0.7479                 0.6559                 0.6047
  Dep-U Fr= 1--      0.8558                 0.7922                 0.7537
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0015
 Beta2  Fr= 1--      0.0617                 0.1514                 0.0720
 AlphaG Fr= 1--      0.0002                 0.0141                -0.0002
 Gamma2 Fr= 1--      0.1206                -0.0547                 0.7656
 Delta2 Fr= 1--      0.0138                 0.1225                 0.0380
 Raman1 Fr= 1--       1.730                  4.588                  2.291
 ROA1   Fr= 1--      12.014                 -1.326                 74.715
 CID1   Fr= 1--       6.946                 -0.289                 32.608
 Raman2 Fr= 1--       0.740                  1.817                  0.863
 ROA2   Fr= 1--       2.783                 -2.292                 18.070
 CID2   Fr= 1--       3.761                 -1.261                 20.928
 Raman3 Fr= 1--       1.480                  3.634                  1.727
 ROA3   Fr= 1--      12.014                 -1.326                 74.715
 CID3   Fr= 1--       8.117                 -0.365                 43.266
 RC180  Fr= 1--       0.712                  0.584                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.6863                 0.9251                 3.8072
  Dep-P Fr= 1--      0.6827                 0.3601                 0.2129
  Dep-U Fr= 1--      0.8114                 0.5295                 0.3511
 Alpha2 Fr= 1--      0.0008                 0.0079                 0.0500
 Beta2  Fr= 1--      0.0928                 0.0816                 0.2228
 AlphaG Fr= 1--      0.0071                -0.0117                 0.0110
 Gamma2 Fr= 1--     -0.0856                 0.0404                -0.0706
 Delta2 Fr= 1--     -0.0425                 0.1598                 0.0461
 Raman1 Fr= 1--       2.745                  3.700                 15.229
 ROA1   Fr= 1--      -9.575                  8.993                 -5.300
 CID1   Fr= 1--      -3.488                  2.430                 -0.348
 Raman2 Fr= 1--       1.114                  0.980                  2.673
 ROA2   Fr= 1--      -1.714                 -0.308                 -2.062
 CID2   Fr= 1--      -1.539                 -0.314                 -0.771
 Raman3 Fr= 1--       2.227                  1.959                  5.346
 ROA3   Fr= 1--      -9.575                  8.993                 -5.300
 CID3   Fr= 1--      -4.299                  4.590                 -0.991
 RC180  Fr= 1--       0.623                  0.059                 -0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.7010                 1.8222                 1.3698
  Dep-P Fr= 1--      0.1028                 0.2030                 0.4083
  Dep-U Fr= 1--      0.1865                 0.3375                 0.5798
 Alpha2 Fr= 1--      0.0296                 0.0245                 0.0098
 Beta2  Fr= 1--      0.0529                 0.1025                 0.1324
 AlphaG Fr= 1--      0.0676                 0.0834                -0.0287
 Gamma2 Fr= 1--      0.9444                -0.5934                -0.3951
 Delta2 Fr= 1--      0.1748                -0.3420                -0.1062
 Raman1 Fr= 1--       6.804                  7.289                  5.479
 ROA1   Fr= 1--      96.255                -67.916                -41.330
 CID1   Fr= 1--      14.147                 -9.318                 -7.543
 Raman2 Fr= 1--       0.634                  1.230                  1.589
 ROA2   Fr= 1--      21.267                -11.506                 -8.634
 CID2   Fr= 1--      33.520                 -9.354                 -5.435
 Raman3 Fr= 1--       1.269                  2.460                  3.177
 ROA3   Fr= 1--      96.255                -67.916                -41.330
 CID3   Fr= 1--      75.855                -27.606                -13.009
 RC180  Fr= 1--      -0.627                 -0.325                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.3588                 0.5452                 1.2151
  Dep-P Fr= 1--      0.6789                 0.2721                 0.3227
  Dep-U Fr= 1--      0.8088                 0.4279                 0.4879
 Alpha2 Fr= 1--      0.0004                 0.0061                 0.0116
 Beta2  Fr= 1--      0.0484                 0.0389                 0.0988
 AlphaG Fr= 1--     -0.0047                 0.0033                 0.0520
 Gamma2 Fr= 1--      0.1678                 0.2528                 0.4080
 Delta2 Fr= 1--      0.0177                 0.1691                 0.0154
 Raman1 Fr= 1--       1.435                  2.181                  4.860
 ROA1   Fr= 1--      16.675                 29.684                 39.663
 CID1   Fr= 1--      11.620                 13.612                  8.160
 Raman2 Fr= 1--       0.580                  0.467                  1.186
 ROA2   Fr= 1--       3.885                  4.715                  9.669
 CID2   Fr= 1--       6.695                 10.106                  8.154
 Raman3 Fr= 1--       1.161                  0.933                  2.371
 ROA3   Fr= 1--      16.675                 29.684                 39.663
 CID3   Fr= 1--      14.367                 31.814                 16.726
 RC180  Fr= 1--       0.618                 -0.144                 -0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.9002                 0.3142                11.1029
  Dep-P Fr= 1--      0.2613                 0.7418                 0.0889
  Dep-U Fr= 1--      0.4143                 0.8517                 0.1633
 Alpha2 Fr= 1--      0.0103                 0.0000                 0.1997
 Beta2  Fr= 1--      0.0622                 0.0446                 0.3021
 AlphaG Fr= 1--      0.0279                -0.0037                 0.0733
 Gamma2 Fr= 1--      0.3677                 0.8511                -0.2147
 Delta2 Fr= 1--      0.2905                -0.1239                -0.2078
 Raman1 Fr= 1--       3.601                  1.257                 44.411
 ROA1   Fr= 1--      44.594                 77.739                -27.260
 CID1   Fr= 1--      12.385                 61.859                 -0.614
 Raman2 Fr= 1--       0.746                  0.535                  3.625
 ROA2   Fr= 1--       6.500                 21.417                 -3.490
 CID2   Fr= 1--       8.713                 40.017                 -0.963
 Raman3 Fr= 1--       1.492                  1.070                  7.251
 ROA3   Fr= 1--      44.594                 77.739                -27.260
 CID3   Fr= 1--      29.890                 72.627                 -3.760
 RC180  Fr= 1--      -0.171                  0.703                 -0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     17.0209                 6.3089                 2.0081
  Dep-P Fr= 1--      0.1347                 0.0664                 0.2533
  Dep-U Fr= 1--      0.2374                 0.1246                 0.4042
 Alpha2 Fr= 1--      0.2735                 0.1198                 0.0236
 Beta2  Fr= 1--      0.6735                 0.1310                 0.1353
 AlphaG Fr= 1--     -0.2305                 0.0437                 0.0624
 Gamma2 Fr= 1--     -3.3662                 0.8682                 0.6087
 Delta2 Fr= 1--      1.2342                -0.3019                -0.4117
 Raman1 Fr= 1--      68.084                 25.235                  8.032
 ROA1   Fr= 1--    -283.663                 73.687                 45.257
 CID1   Fr= 1--      -4.166                  2.920                  5.634
 Raman2 Fr= 1--       8.082                  1.572                  1.623
 ROA2   Fr= 1--     -90.663                 23.252                 17.902
 CID2   Fr= 1--     -11.218                 14.791                 11.027
 Raman3 Fr= 1--      16.164                  3.144                  3.247
 ROA3   Fr= 1--    -283.663                 73.687                 45.257
 CID3   Fr= 1--     -17.549                 23.437                 13.938
 RC180  Fr= 1--      -0.525                 -0.751                 -0.192
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     34.8088                19.7864                11.7543
  Dep-P Fr= 1--      0.5435                 0.6320                 0.5736
  Dep-U Fr= 1--      0.7042                 0.7745                 0.7291
 Alpha2 Fr= 1--      0.1380                 0.0424                 0.0390
 Beta2  Fr= 1--      4.0856                 2.5542                 1.4283
 AlphaG Fr= 1--      0.4462                -0.3365                 0.2106
 Gamma2 Fr= 1--      1.6667                 2.0096                 5.3115
 Delta2 Fr= 1--     -1.7046                -1.4988                 1.0195
 Raman1 Fr= 1--     139.235                 79.146                 47.017
 ROA1   Fr= 1--     105.459                144.961                542.530
 CID1   Fr= 1--       0.757                  1.832                 11.539
 Raman2 Fr= 1--      49.028                 30.650                 17.139
 ROA2   Fr= 1--      53.638                 60.220                119.320
 CID2   Fr= 1--       1.094                  1.965                  6.962
 Raman3 Fr= 1--      98.055                 61.300                 34.278
 ROA3   Fr= 1--     105.459                144.961                542.530
 CID3   Fr= 1--       1.076                  2.365                 15.827
 RC180  Fr= 1--       0.408                  0.549                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      8.0234                 4.1959                 9.1339
  Dep-P Fr= 1--      0.3523                 0.4666                 0.2746
  Dep-U Fr= 1--      0.5210                 0.6363                 0.4308
 Alpha2 Fr= 1--      0.0699                 0.0240                 0.1010
 Beta2  Fr= 1--      0.6967                 0.4450                 0.6559
 AlphaG Fr= 1--      0.0558                 0.0676                 0.1139
 Gamma2 Fr= 1--      1.0576                 4.7457                 0.6678
 Delta2 Fr= 1--     -0.2379                 1.6741                 0.3627
 Raman1 Fr= 1--      32.094                 16.783                 36.536
 ROA1   Fr= 1--      93.917                509.162                 75.710
 CID1   Fr= 1--       2.926                 30.337                  2.072
 Raman2 Fr= 1--       8.360                  5.340                  7.870
 ROA2   Fr= 1--      27.285                100.504                 13.125
 CID2   Fr= 1--       3.264                 18.822                  1.668
 Raman3 Fr= 1--      16.721                 10.679                 15.741
 ROA3   Fr= 1--      93.917                509.162                 75.710
 CID3   Fr= 1--       5.617                 47.678                  4.810
 RC180  Fr= 1--       0.042                  0.273                 -0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     13.0455                11.0287                 9.8617
  Dep-P Fr= 1--      0.1621                 0.2574                 0.3269
  Dep-U Fr= 1--      0.2790                 0.4094                 0.4928
 Alpha2 Fr= 1--      0.1955                 0.1280                 0.0932
 Beta2  Fr= 1--      0.6067                 0.7526                 0.8099
 AlphaG Fr= 1--      0.2291                 0.0893                -0.6602
 Gamma2 Fr= 1--     -0.4827                -0.4031                -1.6732
 Delta2 Fr= 1--     -0.4920                -0.3740                 0.8596
 Raman1 Fr= 1--      52.182                 44.115                 39.447
 ROA1   Fr= 1--     -62.086                -50.663               -133.125
 CID1   Fr= 1--      -1.190                 -1.148                 -3.375
 Raman2 Fr= 1--       7.280                  9.031                  9.719
 ROA2   Fr= 1--      -7.650                 -6.682                -47.035
 CID2   Fr= 1--      -1.051                 -0.740                 -4.839
 Raman3 Fr= 1--      14.560                 18.062                 19.439
 ROA3   Fr= 1--     -62.086                -50.663               -133.125
 CID3   Fr= 1--      -4.264                 -2.805                 -6.848
 RC180  Fr= 1--      -0.442                 -0.181                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     18.7792                 1.2524                 1.3176
  Dep-P Fr= 1--      0.3211                 0.4871                 0.5282
  Dep-U Fr= 1--      0.4861                 0.6551                 0.6913
 Alpha2 Fr= 1--      0.1807                 0.0066                 0.0057
 Beta2  Fr= 1--      1.5214                 0.1367                 0.1518
 AlphaG Fr= 1--      0.6142                 0.2997                 0.2153
 Gamma2 Fr= 1--      6.7222                -0.0632                 0.7333
 Delta2 Fr= 1--      0.6881                -0.9089                -0.3675
 Raman1 Fr= 1--      75.117                  5.010                  5.270
 ROA1   Fr= 1--     667.347                -35.155                 58.641
 CID1   Fr= 1--       8.884                 -7.017                 11.127
 Raman2 Fr= 1--      18.257                  1.641                  1.822
 ROA2   Fr= 1--     155.827                  5.754                 20.540
 CID2   Fr= 1--       8.535                  3.507                 11.275
 Raman3 Fr= 1--      36.513                  3.282                  3.643
 ROA3   Fr= 1--     667.347                -35.155                 58.641
 CID3   Fr= 1--      18.277                -10.712                 16.096
 RC180  Fr= 1--      -0.028                  0.310                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--     10.0317                 4.6625               117.5517
  Dep-P Fr= 1--      0.3271                 0.2755                 0.3511
  Dep-U Fr= 1--      0.4930                 0.4320                 0.5197
 Alpha2 Fr= 1--      0.0947                 0.0514                 1.0285
 Beta2  Fr= 1--      0.8243                 0.3357                10.1814
 AlphaG Fr= 1--     -0.0812                 0.1065                 0.6362
 Gamma2 Fr= 1--      0.5573                -1.7406                 5.6510
 Delta2 Fr= 1--      1.3694                -1.2190                -0.6149
 Raman1 Fr= 1--      40.127                 18.650                470.207
 ROA1   Fr= 1--      97.321               -206.108                522.815
 CID1   Fr= 1--       2.425                -11.051                  1.112
 Raman2 Fr= 1--       9.891                  4.029                122.176
 ROA2   Fr= 1--       2.420                -32.023                140.542
 CID2   Fr= 1--       0.245                 -7.949                  1.150
 Raman3 Fr= 1--      19.783                  8.058                244.353
 ROA3   Fr= 1--      97.321               -206.108                522.815
 CID3   Fr= 1--       4.919                -25.579                  2.140
 RC180  Fr= 1--      -0.014                 -0.136                  0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.4702                 2.6814                24.8960
  Dep-P Fr= 1--      0.7374                 0.7492                 0.4068
  Dep-U Fr= 1--      0.8489                 0.8566                 0.5783
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.1800
 Beta2  Fr= 1--      0.2080                 0.3828                 2.3996
 AlphaG Fr= 1--     -0.0011                 0.0032                 0.0578
 Gamma2 Fr= 1--     -0.2772                 0.9143                -1.8300
 Delta2 Fr= 1--     -0.2301                 0.8000                -1.1039
 Raman1 Fr= 1--       5.881                 10.726                 99.584
 ROA1   Fr= 1--     -33.972                113.369               -211.002
 CID1   Fr= 1--      -5.777                 10.570                 -2.119
 Raman2 Fr= 1--       2.496                  4.594                 28.795
 ROA2   Fr= 1--      -4.812                 15.542                -35.088
 CID2   Fr= 1--      -1.928                  3.383                 -1.219
 Raman3 Fr= 1--       4.992                  9.188                 57.590
 ROA3   Fr= 1--     -33.972                113.369               -211.002
 CID3   Fr= 1--      -6.805                 12.339                 -3.664
 RC180  Fr= 1--       0.698                  0.713                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     23.6845                 6.1246                15.0942
  Dep-P Fr= 1--      0.3051                 0.4113                 0.3170
  Dep-U Fr= 1--      0.4676                 0.5828                 0.4814
 Alpha2 Fr= 1--      0.2392                 0.0436                 0.1470
 Beta2  Fr= 1--      1.8457                 0.5949                 1.2111
 AlphaG Fr= 1--      0.1163                -0.0545                -0.2493
 Gamma2 Fr= 1--      0.9354                 2.7576                 2.1212
 Delta2 Fr= 1--     -3.4801                 1.0478                 0.9912
 Raman1 Fr= 1--      94.738                 24.498                 60.377
 ROA1   Fr= 1--     -21.562                298.257                235.357
 CID1   Fr= 1--      -0.228                 12.175                  3.898
 Raman2 Fr= 1--      22.148                  7.139                 14.534
 ROA2   Fr= 1--      50.291                 57.800                 42.980
 CID2   Fr= 1--       2.271                  8.096                  2.957
 Raman3 Fr= 1--      44.296                 14.278                 29.067
 ROA3   Fr= 1--     -21.562                298.257                235.357
 CID3   Fr= 1--      -0.487                 20.889                  8.097
 RC180  Fr= 1--      -0.065                  0.166                 -0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     27.4690                 4.1508                37.9067
  Dep-P Fr= 1--      0.2416                 0.6261                 0.2364
  Dep-U Fr= 1--      0.3892                 0.7700                 0.3824
 Alpha2 Fr= 1--      0.3333                 0.0094                 0.4666
 Beta2  Fr= 1--      1.7816                 0.5327                 2.4159
 AlphaG Fr= 1--      0.0374                 0.0396                -0.0992
 Gamma2 Fr= 1--      4.4874                 3.0659                 0.3484
 Delta2 Fr= 1--      3.0288                 0.3523                -0.1155
 Raman1 Fr= 1--     109.876                 16.603                151.627
 ROA1   Fr= 1--     527.709                305.601                 29.755
 CID1   Fr= 1--       4.803                 18.406                  0.196
 Raman2 Fr= 1--      21.380                  6.393                 28.991
 ROA2   Fr= 1--      83.466                 70.763                  9.286
 CID2   Fr= 1--       3.904                 11.070                  0.320
 Raman3 Fr= 1--      42.759                 12.785                 57.982
 ROA3   Fr= 1--     527.709                305.601                 29.755
 CID3   Fr= 1--      12.341                 23.903                  0.513
 RC180  Fr= 1--      -0.222                  0.540                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     28.9170                 2.8097                 2.3573
  Dep-P Fr= 1--      0.3645                 0.2091                 0.3040
  Dep-U Fr= 1--      0.5343                 0.3459                 0.4663
 Alpha2 Fr= 1--      0.2420                 0.0372                 0.0239
 Beta2  Fr= 1--      2.5751                 0.1620                 0.1832
 AlphaG Fr= 1--     -0.1454                 0.0347                -0.0081
 Gamma2 Fr= 1--     -1.8423                -0.2769                 0.1827
 Delta2 Fr= 1--      0.2810                 0.0764                 0.2677
 Raman1 Fr= 1--     115.668                 11.239                  9.429
 ROA1   Fr= 1--    -167.871                -24.140                 26.104
 CID1   Fr= 1--      -1.451                 -2.148                  2.768
 Raman2 Fr= 1--      30.901                  1.944                  2.198
 ROA2   Fr= 1--     -46.464                 -7.257                  2.243
 CID2   Fr= 1--      -1.504                 -3.734                  1.020
 Raman3 Fr= 1--      61.801                  3.888                  4.397
 ROA3   Fr= 1--    -167.871                -24.140                 26.104
 CID3   Fr= 1--      -2.716                 -6.210                  5.937
 RC180  Fr= 1--       0.069                 -0.308                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      1.9586                 8.3869                 5.7126
  Dep-P Fr= 1--      0.6801                 0.3862                 0.7496
  Dep-U Fr= 1--      0.8096                 0.5573                 0.8569
 Alpha2 Fr= 1--      0.0024                 0.0652                 0.0000
 Beta2  Fr= 1--      0.2643                 0.7789                 0.8159
 AlphaG Fr= 1--      0.0105                -0.0243                -0.0013
 Gamma2 Fr= 1--      0.2550                -0.6560                 0.0847
 Delta2 Fr= 1--     -0.0622                -0.1333                -0.0326
 Raman1 Fr= 1--       7.834                 33.548                 22.850
 ROA1   Fr= 1--      22.492                -67.239                  7.092
 CID1   Fr= 1--       2.871                 -2.004                  0.310
 Raman2 Fr= 1--       3.171                  9.347                  9.790
 ROA2   Fr= 1--       6.618                -14.676                  2.294
 CID2   Fr= 1--       2.087                 -1.570                  0.234
 Raman3 Fr= 1--       6.343                 18.695                 19.581
 ROA3   Fr= 1--      22.492                -67.239                  7.092
 CID3   Fr= 1--       3.546                 -3.597                  0.362
 RC180  Fr= 1--       0.619                  0.115                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      3.6918                 9.2759                 4.0734
  Dep-P Fr= 1--      0.7499                 0.7377                 0.6228
  Dep-U Fr= 1--      0.8571                 0.8491                 0.7676
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0095
 Beta2  Fr= 1--      0.5274                 1.3126                 0.5211
 AlphaG Fr= 1--      0.0003                -0.0005                 0.0300
 Gamma2 Fr= 1--      1.8677                -2.7577                -0.0223
 Delta2 Fr= 1--      0.3587                -0.6103                 0.9084
 Raman1 Fr= 1--      14.767                 37.104                 16.293
 ROA1   Fr= 1--     190.781               -284.273                 26.924
 CID1   Fr= 1--      12.919                 -7.662                  1.652
 Raman2 Fr= 1--       6.328                 15.752                  6.253
 ROA2   Fr= 1--      41.956                -61.303                 -7.803
 CID2   Fr= 1--       6.630                 -3.892                 -1.248
 Raman3 Fr= 1--      12.657                 31.503                 12.506
 ROA3   Fr= 1--     190.781               -284.273                 26.924
 CID3   Fr= 1--      15.074                 -9.024                  2.153
 RC180  Fr= 1--       0.714                  0.698                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--     14.4570                 3.9412                 1.6242
  Dep-P Fr= 1--      0.4209                 0.7494                 0.7007
  Dep-U Fr= 1--      0.5924                 0.8567                 0.8240
 Alpha2 Fr= 1--      0.0992                 0.0000                 0.0014
 Beta2  Fr= 1--      1.4274                 0.5628                 0.2231
 AlphaG Fr= 1--      0.0102                -0.0022                 0.0004
 Gamma2 Fr= 1--     -0.3859                 0.7979                -0.0181
 Delta2 Fr= 1--     -1.4057                -1.1745                 0.1446
 Raman1 Fr= 1--      57.828                 15.765                  6.497
 ROA1   Fr= 1--     -82.033                 39.015                  2.888
 CID1   Fr= 1--      -1.419                  2.475                  0.444
 Raman2 Fr= 1--      17.129                  6.753                  2.677
 ROA2   Fr= 1--       1.983                 28.545                 -1.592
 CID2   Fr= 1--       0.116                  4.227                 -0.595
 Raman3 Fr= 1--      34.259                 13.506                  5.354
 ROA3   Fr= 1--     -82.033                 39.015                  2.888
 CID3   Fr= 1--      -2.395                  2.889                  0.539
 RC180  Fr= 1--       0.185                  0.713                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    677.6677                22.1510                87.4562
  Dep-P Fr= 1--      0.2762                 0.6895                 0.4414
  Dep-U Fr= 1--      0.4329                 0.8162                 0.6125
 Alpha2 Fr= 1--      7.4536                 0.0235                 0.5548
 Beta2  Fr= 1--     48.8938                 3.0134                 8.9271
 AlphaG Fr= 1--      3.4798                 0.0732                -0.6735
 Gamma2 Fr= 1--     41.6006                -1.0993                -2.9721
 Delta2 Fr= 1--     -0.0844                -0.6709               -11.3048
 Raman1 Fr= 1--    2710.671                 88.604                349.825
 ROA1   Fr= 1--    3990.961               -127.006               -647.074
 CID1   Fr= 1--       1.472                 -1.433                 -1.850
 Raman2 Fr= 1--     586.726                 36.161                107.125
 ROA2   Fr= 1--     999.091                -21.017                 19.108
 CID2   Fr= 1--       1.703                 -0.581                  0.178
 Raman3 Fr= 1--    1173.452                 72.321                214.250
 ROA3   Fr= 1--    3990.961               -127.006               -647.074
 CID3   Fr= 1--       3.401                 -1.756                 -3.020
 RC180  Fr= 1--      -0.134                  0.632                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    162.9983               217.2030               206.5241
  Dep-P Fr= 1--      0.0350                 0.0232                 0.0189
  Dep-U Fr= 1--      0.0676                 0.0454                 0.0371
 Alpha2 Fr= 1--      3.3365                 4.5713                 4.3907
 Beta2  Fr= 1--      1.8364                 1.6423                 1.2774
 AlphaG Fr= 1--     -1.1356                 0.0380                -0.7277
 Gamma2 Fr= 1--     -3.9510                 3.0869                -0.6933
 Delta2 Fr= 1--     -2.4198                 0.5804                 2.1439
 Raman1 Fr= 1--     651.993                868.812                826.097
 ROA1   Fr= 1--    -456.730                314.918                  2.051
 CID1   Fr= 1--      -0.701                  0.362                  0.002
 Raman2 Fr= 1--      22.037                 19.707                 15.329
 ROA2   Fr= 1--     -75.466                 69.443                -33.790
 CID2   Fr= 1--      -3.425                  3.524                 -2.204
 Raman3 Fr= 1--      44.073                 39.414                 30.659
 ROA3   Fr= 1--    -456.730                314.918                  2.051
 CID3   Fr= 1--     -10.363                  7.990                  0.067
 RC180  Fr= 1--      -0.865                 -0.909                 -0.926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    202.6443               139.0155                61.3466
  Dep-P Fr= 1--      0.1026                 0.0581                 0.6660
  Dep-U Fr= 1--      0.1860                 0.1098                 0.7995
 Alpha2 Fr= 1--      3.5259                 2.6934                 0.0917
 Beta2  Fr= 1--      6.2829                 2.5444                 8.1746
 AlphaG Fr= 1--     -0.1173                 0.3152                 0.1331
 Gamma2 Fr= 1--      3.1094                 3.0658                -1.6555
 Delta2 Fr= 1--     -4.2596                -7.7318                 3.6576
 Raman1 Fr= 1--     810.577                556.062                245.387
 ROA1   Fr= 1--     162.193                 46.898                -41.883
 CID1   Fr= 1--       0.200                  0.084                 -0.171
 Raman2 Fr= 1--      75.395                 30.533                 98.095
 ROA2   Fr= 1--     108.701                135.433                -68.993
 CID2   Fr= 1--       1.442                  4.436                 -0.703
 Raman3 Fr= 1--     150.790                 61.065                196.190
 ROA3   Fr= 1--     162.193                 46.898                -41.883
 CID3   Fr= 1--       1.076                  0.768                 -0.213
 RC180  Fr= 1--      -0.628                 -0.780                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     61.7671                57.2781                90.4984
  Dep-P Fr= 1--      0.7464                 0.7190                 0.7413
  Dep-U Fr= 1--      0.8548                 0.8365                 0.8514
 Alpha2 Fr= 1--      0.0038                 0.0306                 0.0134
 Beta2  Fr= 1--      8.7993                 7.9859                12.8421
 AlphaG Fr= 1--      0.0053                -0.0463                 0.0240
 Gamma2 Fr= 1--      0.7613                15.9615                16.8411
 Delta2 Fr= 1--     -1.7181                 5.6142                10.8582
 Raman1 Fr= 1--     247.069                229.112                361.994
 ROA1   Fr= 1--      18.104               1711.959               1964.212
 CID1   Fr= 1--       0.073                  7.472                  5.426
 Raman2 Fr= 1--     105.592                 95.831                154.106
 ROA2   Fr= 1--      32.016                338.163                317.321
 CID2   Fr= 1--       0.303                  3.529                  2.059
 Raman3 Fr= 1--     211.184                191.661                308.211
 ROA3   Fr= 1--      18.104               1711.959               1964.212
 CID3   Fr= 1--       0.086                  8.932                  6.373
 RC180  Fr= 1--       0.710                  0.673                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    115.2639                27.4200                84.1640
  Dep-P Fr= 1--      0.5846                 0.5850                 0.6016
  Dep-U Fr= 1--      0.7378                 0.7381                 0.7513
 Alpha2 Fr= 1--      0.3565                 0.0846                 0.2310
 Beta2  Fr= 1--     14.1742                 3.3733                10.5384
 AlphaG Fr= 1--      0.3757                 0.1683                 0.6578
 Gamma2 Fr= 1--    -31.9485                 7.1814                -2.0798
 Delta2 Fr= 1--     -0.8809                -2.2828                -3.5525
 Raman1 Fr= 1--     461.056                109.680                336.656
 ROA1   Fr= 1--   -3095.242                616.369               -313.337
 CID1   Fr= 1--      -6.713                  5.620                 -0.931
 Raman2 Fr= 1--     170.090                 40.479                126.461
 ROA2   Fr= 1--    -759.716                190.617                -21.495
 CID2   Fr= 1--      -4.467                  4.709                 -0.170
 Raman3 Fr= 1--     340.180                 80.958                252.923
 ROA3   Fr= 1--   -3095.242                616.369               -313.337
 CID3   Fr= 1--      -9.099                  7.613                 -1.239
 RC180  Fr= 1--       0.476                  0.476                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     63.9369                96.6395                35.9009
  Dep-P Fr= 1--      0.1770                 0.5503                 0.2473
  Dep-U Fr= 1--      0.3008                 0.7099                 0.3965
 Alpha2 Fr= 1--      0.9222                 0.3689                 0.4287
 Beta2  Fr= 1--      3.2052                11.4342                 2.3725
 AlphaG Fr= 1--      0.5063                 0.2230                -0.4727
 Gamma2 Fr= 1--     -0.6053                 3.1989                 1.0093
 Delta2 Fr= 1--     -0.2083                 2.3087                 2.5827
 Raman1 Fr= 1--     255.748                386.558                143.603
 ROA1   Fr= 1--     -64.772                380.971                179.543
 CID1   Fr= 1--      -0.253                  0.986                  1.250
 Raman2 Fr= 1--      38.463                137.211                 28.471
 ROA2   Fr= 1--     -12.861                 58.303                  3.562
 CID2   Fr= 1--      -0.334                  0.425                  0.125
 Raman3 Fr= 1--      76.925                274.422                 56.941
 ROA3   Fr= 1--     -64.772                380.971                179.543
 CID3   Fr= 1--      -0.842                  1.388                  3.153
 RC180  Fr= 1--      -0.398                  0.420                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171697D+03 -0.295356D+01 -0.581410D+01
      2  -0.295356D+01  0.119662D+03  0.230466D+01
      3  -0.581410D+01  0.230466D+01  0.101997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.633424D+00  0.492473D+01 -0.711759D+01
      2   0.397130D+02 -0.109623D+02  0.303589D+02
      3   0.241242D+02 -0.120287D+02  0.123913D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.773502D+02 -0.128753D+02  0.219604D+02
      2   0.205484D+02  0.175832D+02 -0.332582D+02
      3   0.568018D+02 -0.470793D+01  0.112978D+02
      4   0.413750D+01  0.228338D+02 -0.235899D+02
      5   0.303515D+02 -0.252208D+02  0.781926D+02
      6  -0.398839D+01 -0.370457D+01  0.126135D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393562D+01  0.121137D+01 -0.417341D+01  0.148020D+00  0.369297D+01
      2   0.121137D+01  0.374272D+01  0.225077D+01  0.369297D+01  0.236093D+01
      3  -0.417341D+01  0.225077D+01 -0.353110D+01  0.224287D+01 -0.176346D+01
                 6             7             8             9            10 
      1   0.224287D+01 -0.346158D+01  0.275852D+01 -0.326493D+01  0.283726D+02
      2  -0.176346D+01  0.275852D+01 -0.958947D+00 -0.967292D+00 -0.234649D+01
      3  -0.170974D+01 -0.326493D+01 -0.967292D+00  0.701486D+00  0.390382D+01
                11            12            13            14            15 
      1  -0.234649D+01  0.390382D+01 -0.138144D+02 -0.223839D+01 -0.302188D+01
      2  -0.261676D+01 -0.215242D+01 -0.223839D+01 -0.470610D+01  0.102831D+01
      3  -0.215242D+01  0.355577D+01 -0.302188D+01  0.102831D+01  0.104026D+01
                16            17            18            19            20 
      1   0.173574D+02 -0.314997D+01  0.614547D+01 -0.441627D+02  0.174014D+01
      2  -0.314997D+01  0.217882D+01  0.588241D+00  0.174014D+01 -0.255117D+01
      3   0.614547D+01  0.588241D+00 -0.254865D+01 -0.121285D+00  0.106514D+01
                21            22            23            24            25 
      1  -0.121285D+00  0.122259D+02 -0.193287D+01  0.255532D+01 -0.696331D+01
      2   0.106514D+01 -0.193287D+01 -0.202031D+01 -0.162097D+01  0.243685D+01
      3  -0.306142D+01  0.255532D+01 -0.162097D+01  0.202384D+01 -0.725533D+01
                26            27            28            29            30 
      1   0.243685D+01 -0.725533D+01  0.591011D+02  0.408337D+00 -0.319825D+01
      2  -0.240121D+01  0.139862D+01  0.408337D+00  0.184835D+01 -0.640618D+00
      3   0.139862D+01  0.524528D+01 -0.319825D+01 -0.640618D+00  0.205912D+01
                31            32            33            34            35 
      1  -0.131500D+02  0.176844D+01 -0.428783D-01 -0.148076D+02 -0.182926D+01
      2   0.176844D+01  0.274519D+01  0.144600D+01 -0.182926D+01  0.949542D+00
      3  -0.428783D-01  0.144600D+01 -0.935756D+00  0.629916D+01 -0.230757D+00
                36            37            38            39            40 
      1   0.629916D+01 -0.520591D+02 -0.304138D+01  0.303044D+01  0.130217D+02
      2  -0.230757D+00 -0.304138D+01 -0.118144D+01  0.797420D+00 -0.362844D+01
      3  -0.414630D+01  0.303044D+01  0.797420D+00 -0.139584D+01 -0.725228D+00
                41            42            43            44            45 
      1  -0.362844D+01 -0.725228D+00  0.159374D+02  0.145452D+01 -0.478832D+01
      2  -0.238442D+01 -0.137106D+01  0.145452D+01 -0.143794D+01  0.844041D+00
      3  -0.137106D+01  0.181147D+01 -0.478832D+01  0.844041D+00  0.216154D+01
                46            47            48            49            50 
      1   0.186848D+02  0.295413D+01 -0.120351D+01  0.273593D+02  0.943786D+01
      2   0.295413D+01  0.915324D-01  0.334109D+00  0.943786D+01  0.639550D+01
      3  -0.120351D+01  0.334109D+00 -0.468202D+00  0.274126D+00  0.367577D+00
                51            52            53            54            55 
      1   0.274126D+00  0.352432D+01  0.236364D+01 -0.101423D+01 -0.723410D+01
      2   0.367577D+00  0.236364D+01  0.122046D+01  0.530626D+00 -0.321489D+01
      3  -0.220589D+00 -0.101423D+01  0.530626D+00  0.726059D+00 -0.464106D+00
                56            57            58            59            60 
      1  -0.321489D+01 -0.464106D+00 -0.291037D+02 -0.109224D+02  0.477922D+00
      2  -0.167609D+01 -0.560113D+00 -0.109224D+02 -0.114955D+02 -0.642938D+00
      3  -0.560113D+00 -0.496045D+00  0.477922D+00 -0.642938D+00 -0.157384D+01
                61            62            63            64            65 
      1  -0.699447D+01 -0.233709D+01 -0.183413D+01 -0.741987D+01  0.220659D+01
      2  -0.233709D+01 -0.114703D+01 -0.284270D+01  0.220659D+01  0.318413D+01
      3  -0.183413D+01 -0.284270D+01 -0.133598D+01 -0.250475D+01  0.273482D+01
                66            67            68            69            70 
      1  -0.250475D+01  0.206095D+01  0.220499D+01  0.296532D+01 -0.513327D+01
      2   0.273482D+01  0.220499D+01  0.392447D+01 -0.125765D+00  0.298126D+01
      3  -0.291755D+01  0.296532D+01 -0.125765D+00 -0.186968D+01 -0.413905D+01
                71            72            73            74            75 
      1   0.298126D+01 -0.413905D+01 -0.330945D+01 -0.248522D+01  0.154918D+01
      2  -0.703120D+00 -0.773435D+00 -0.248522D+01  0.205398D+01 -0.747385D+00
      3  -0.773435D+00  0.440413D+01  0.154918D+01 -0.747385D+00 -0.286109D+01
                76            77            78            79            80 
      1  -0.364832D+01  0.224478D+01 -0.166854D+01 -0.137512D+01 -0.143752D+01
      2   0.224478D+01  0.599203D+01 -0.372634D+00 -0.143752D+01 -0.963210D+00
      3  -0.166854D+01 -0.372634D+00 -0.163807D+01 -0.510141D+01 -0.240276D+01
                81            82            83            84            85 
      1  -0.510141D+01 -0.380499D+01  0.192314D+01 -0.240129D+01  0.266178D+01
      2  -0.240276D+01  0.192314D+01  0.192783D+01  0.161877D+01  0.242043D+01
      3  -0.151240D+01 -0.240129D+01  0.161877D+01  0.931473D+00  0.129621D+01
                86            87            88            89            90 
      1   0.242043D+01  0.129621D+01 -0.268588D+01  0.179795D+01  0.133307D+01
      2  -0.137136D+01  0.311097D+01  0.179795D+01  0.426719D+01 -0.256774D+01
      3   0.311097D+01 -0.216255D+01  0.133307D+01 -0.256774D+01 -0.498153D+00
                91            92            93            94            95 
      1   0.296395D+01  0.478528D+01  0.807896D+00  0.752005D+01  0.314624D+01
      2   0.478528D+01  0.597546D+00 -0.170329D+01  0.314624D+01 -0.416331D+01
      3   0.807896D+00 -0.170329D+01 -0.131304D+01 -0.154971D+01  0.740796D+00
                96            97            98            99           100 
      1  -0.154971D+01  0.149052D+01 -0.169253D+01  0.267528D+00  0.646161D+01
      2   0.740796D+00 -0.169253D+01  0.135360D+01 -0.383958D+01  0.188131D+01
      3  -0.314999D+01  0.267528D+00 -0.383958D+01 -0.336475D+01 -0.270165D+01
               101           102           103           104           105 
      1   0.188131D+01 -0.270165D+01  0.528006D+00  0.101294D+01 -0.313049D+00
      2   0.145176D+01 -0.590223D+00  0.101294D+01  0.412279D+00 -0.610154D+00
      3  -0.590223D+00  0.216362D+01 -0.313049D+00 -0.610154D+00  0.495939D+00
               106           107           108           109           110 
      1  -0.496094D+01 -0.975063D+00  0.302021D+01  0.246556D+01  0.153883D+01
      2  -0.975063D+00 -0.146975D+01  0.118342D+01  0.153883D+01  0.796351D+00
      3   0.302021D+01  0.118342D+01 -0.264434D+01  0.176604D+01  0.840872D+00
               111           112           113           114           115 
      1   0.176604D+01  0.520261D+00  0.133820D+01  0.995786D+00  0.466106D+01
      2   0.840872D+00  0.133820D+01  0.146555D+01  0.145530D+01  0.211937D+01
      3   0.190904D+01  0.995786D+00  0.145530D+01  0.141859D+01  0.408762D+01
               116           117           118           119           120 
      1   0.211937D+01  0.408762D+01  0.723066D+01 -0.618291D+00 -0.191899D+01
      2   0.252912D+01  0.233169D+01 -0.618291D+00  0.509478D+00 -0.252758D-01
      3   0.233169D+01  0.542219D+01 -0.191899D+01 -0.252758D-01  0.192472D+01
               121           122           123           124           125 
      1  -0.501455D+01  0.846377D+00  0.302150D-01 -0.343476D+01 -0.285200D+00
      2   0.846377D+00 -0.294240D-01 -0.994174D+00 -0.285200D+00 -0.122960D+01
      3   0.302150D-01 -0.994174D+00 -0.992744D+00  0.391919D+01 -0.721429D+00
               126           127           128           129           130 
      1   0.391919D+01 -0.213149D+01  0.328147D+00  0.109822D+01  0.308169D+00
      2  -0.721429D+00  0.328147D+00 -0.168645D+01 -0.829925D+00 -0.970999D+00
      3  -0.871952D+01  0.109822D+01 -0.829925D+00 -0.137671D+01 -0.560445D+00
               131           132           133           134           135 
      1  -0.970999D+00 -0.560445D+00  0.180017D+01 -0.775865D+00 -0.101041D+01
      2   0.209353D+01  0.803652D+00 -0.775865D+00  0.184999D+01  0.171009D+01
      3   0.803652D+00  0.109493D+01 -0.101041D+01  0.171009D+01  0.291123D+01
               136           137           138           139           140 
      1   0.927556D+00  0.108572D+01 -0.403399D+00  0.156624D+00  0.217777D+00
      2   0.108572D+01 -0.195939D-01 -0.110012D+00  0.217777D+00  0.735941D+01
      3  -0.403399D+00 -0.110012D+00 -0.899455D-01 -0.186437D+00 -0.342935D+01
               141           142           143           144           145 
      1  -0.186437D+00 -0.974046D+00 -0.348440D+00 -0.192980D+00 -0.179788D+01
      2  -0.342935D+01 -0.348440D+00 -0.492510D+01  0.348498D+01 -0.168459D+01
      3   0.237798D+01 -0.192980D+00  0.348498D+01 -0.322836D+01  0.579668D+00
               146           147           148           149           150 
      1  -0.168459D+01  0.579668D+00 -0.134908D+01 -0.207237D+01  0.166137D+00
      2  -0.269710D+01  0.488891D+00 -0.207237D+01 -0.582697D+01  0.146340D+01
      3   0.488891D+00 -0.715882D+00  0.166137D+00  0.146340D+01 -0.148340D+01
               151           152           153           154           155 
      1  -0.292498D+00 -0.779606D-01 -0.228930D+00 -0.209459D+01  0.967657D+00
      2  -0.779606D-01  0.465333D-01 -0.619705D+00  0.967657D+00 -0.155164D+01
      3  -0.228930D+00 -0.619705D+00  0.214551D+00  0.141688D+01 -0.715551D+00
               156           157           158           159           160 
      1   0.141688D+01  0.137520D+01 -0.144182D+01 -0.927662D+00  0.955808D+00
      2  -0.715551D+00 -0.144182D+01  0.218467D+01  0.119535D+01 -0.756309D+00
      3  -0.164629D+01 -0.927662D+00  0.119535D+01  0.251220D+01 -0.903626D+00
               161           162           163           164           165 
      1  -0.756309D+00 -0.903626D+00  0.564745D+01 -0.146319D+01  0.386500D+01
      2   0.103771D+01  0.121611D+01 -0.146319D+01  0.115157D+01 -0.143388D+01
      3   0.121611D+01  0.252663D+01  0.386500D+01 -0.143388D+01  0.440483D+01
               166           167           168           169           170 
      1  -0.404750D+00  0.731992D+00 -0.742744D+00  0.221772D+01 -0.106568D+01
      2   0.731992D+00 -0.114373D+01  0.126301D+01 -0.106568D+01  0.982281D+00
      3  -0.742744D+00  0.126301D+01 -0.681142D+00  0.324083D+01 -0.119856D+01
               171           172           173           174           175 
      1   0.324083D+01  0.253551D+01 -0.163836D+00 -0.170376D+01  0.110564D+01
      2  -0.119856D+01 -0.163836D+00  0.516184D-01 -0.244907D+00 -0.347320D-01
      3   0.463061D+01 -0.170376D+01 -0.244907D+00  0.218213D+01 -0.897997D+00
               176           177           178           179           180 
      1  -0.347320D-01 -0.897997D+00 -0.245486D+01  0.117091D+00  0.336240D+01
      2   0.437651D+00 -0.831931D+00  0.117091D+00 -0.135721D+01 -0.257237D-02
      3  -0.831931D+00  0.155193D+01  0.336240D+01 -0.257237D-02 -0.691129D+01
               181           182           183           184           185 
      1  -0.930831D+00 -0.112101D+01  0.935749D-01 -0.150851D+01 -0.546598D+00
      2  -0.112101D+01 -0.343614D+01 -0.825354D+00 -0.546598D+00 -0.805999D+01
      3   0.935749D-01 -0.825354D+00 -0.586073D+00 -0.216158D+00 -0.128548D+01
               186           187           188           189           190 
      1  -0.216158D+00  0.501005D+00 -0.452903D+00  0.198755D+00  0.842111D+01
      2  -0.128548D+01 -0.452903D+00 -0.756290D+00 -0.109680D+01 -0.329507D+01
      3  -0.107882D+01  0.198755D+00 -0.109680D+01 -0.901332D+00  0.213593D+01
               191           192           193           194           195 
      1  -0.329507D+01  0.213593D+01 -0.142010D+01  0.176168D+01 -0.779558D+00
      2   0.179434D+01 -0.863952D+00  0.176168D+01 -0.190697D+01  0.601927D+00
      3  -0.863952D+00  0.188187D+01 -0.779558D+00  0.601927D+00 -0.253332D+00
               196           197           198           199           200 
      1   0.542264D+01 -0.217080D+01  0.244645D+01  0.492470D+00 -0.863072D+00
      2  -0.217080D+01  0.185404D+01 -0.801077D+00 -0.863072D+00 -0.326592D+00
      3   0.244645D+01 -0.801077D+00  0.166128D+01 -0.562424D+00 -0.111943D+00
               201           202           203           204           205 
      1  -0.562424D+00 -0.196450D+01 -0.334543D-01  0.329835D+00 -0.200859D+01
      2  -0.111943D+00 -0.334543D-01 -0.578328D+01 -0.171030D+01  0.438275D+00
      3  -0.488271D-01  0.329835D+00 -0.171030D+01 -0.153133D+01 -0.840285D+00
               206           207           208           209           210 
      1   0.438275D+00 -0.840285D+00 -0.868133D+00  0.129362D+01  0.555707D+00
      2  -0.128850D+01 -0.117617D+01  0.129362D+01  0.176493D+00 -0.132248D+00
      3  -0.117617D+01 -0.756207D+00  0.555707D+00 -0.132248D+00 -0.169225D+00
               211           212           213           214           215 
      1   0.224662D+01 -0.341519D+00 -0.302082D+00  0.775184D+00 -0.473924D+00
      2  -0.341519D+00  0.594984D+01  0.112799D+01 -0.473924D+00  0.136125D+01
      3  -0.302082D+00  0.112799D+01  0.896387D+00  0.322968D+00  0.642220D+00
               216           217           218           219           220 
      1   0.322968D+00 -0.297560D+01  0.536966D+00 -0.795204D+00  0.355169D+01
      2   0.642220D+00  0.536966D+00 -0.685388D+00  0.587503D+00 -0.328514D+01
      3   0.176947D+00 -0.795204D+00  0.587503D+00 -0.248362D+00  0.370649D+00
               221           222           223           224           225 
      1  -0.328514D+01  0.370649D+00 -0.257041D+01  0.174402D+01 -0.121171D+01
      2   0.624848D+01 -0.176187D+01  0.174402D+01 -0.305370D+01  0.238495D+01
      3  -0.176187D+01  0.227719D+01 -0.121171D+01  0.238495D+01 -0.188916D+01
               226           227           228           229           230 
      1  -0.886225D+00 -0.454640D+00  0.589222D+00  0.142585D+01 -0.138479D+01
      2  -0.454640D+00  0.542734D+00  0.649556D+00 -0.138479D+01  0.270060D+01
      3   0.589222D+00  0.649556D+00  0.101412D+01 -0.417841D+00  0.181072D+01
               231           232           233           234           235 
      1  -0.417841D+00  0.323434D+01 -0.680155D+00 -0.159946D+01 -0.969375D+01
      2   0.181072D+01 -0.680155D+00  0.213513D+01  0.296658D+01 -0.210956D+01
      3   0.234477D+01 -0.159946D+01  0.296658D+01  0.706852D+01  0.760435D+00
               236           237           238           239           240 
      1  -0.210956D+01  0.760435D+00 -0.483783D+01 -0.199119D+01  0.647825D+00
      2  -0.149206D+01  0.319239D+00 -0.199119D+01 -0.137878D+01  0.105084D+00
      3   0.319239D+00 -0.110108D+01  0.647825D+00  0.105084D+00 -0.564502D+00
               241           242           243 
      1   0.239712D+00  0.297167D+00 -0.125885D+01
      2   0.297167D+00 -0.740436D-01 -0.409866D-01
      3  -0.125885D+01 -0.409866D-01  0.606009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278423D+01  0.111770D+02  0.172898D+01  0.110909D+02  0.404190D+01
      2  -0.851509D+01  0.384194D+00  0.528033D+01  0.279104D+01 -0.116570D+02
      3  -0.117503D+01 -0.104137D+02  0.105676D+01 -0.555807D+01 -0.862262D+01
                 6             7             8             9            10 
      1  -0.824335D+01  0.258017D+01 -0.157660D+01 -0.349157D+01  0.713461D+01
      2  -0.772147D+01 -0.243565D+01 -0.634177D+01  0.674968D+01  0.323417D+02
      3  -0.237780D-01 -0.208229D+01 -0.640016D+00  0.439036D+01  0.486578D+01
                11            12            13            14            15 
      1  -0.523601D+01  0.227162D+01 -0.175107D+01 -0.199049D+00 -0.351591D+01
      2  -0.684874D+01  0.130728D+02 -0.204175D+02  0.524375D+01  0.225983D+01
      3   0.543989D+01  0.229928D+01  0.908898D+01  0.157197D+02 -0.138609D+01
                16            17            18            19            20 
      1   0.127201D+01  0.596510D+01 -0.112388D+01 -0.873067D+01  0.331154D+01
      2   0.190027D+02  0.227669D+01 -0.273239D+01 -0.324754D+02  0.359266D+01
      3   0.514961D+01 -0.314905D+00 -0.367163D+01 -0.697753D+01 -0.430654D+01
                21            22            23            24            25 
      1  -0.278716D+01  0.158207D+01  0.612135D+01 -0.132332D+01 -0.278356D+01
      2   0.690011D+00  0.161180D+02 -0.368269D+01  0.498061D+01 -0.220586D+02
      3   0.665235D+00  0.105302D+02 -0.115514D+01  0.120613D+01  0.121398D+01
                26            27            28            29            30 
      1   0.389928D+01 -0.326196D+01  0.672507D+01 -0.965265D+00  0.177381D+01
      2   0.321223D+01 -0.367561D+01  0.345830D+02  0.674779D+00 -0.689870D+01
      3   0.130785D+01 -0.148009D+01  0.148471D+02  0.356189D+01 -0.263362D+01
                31            32            33            34            35 
      1   0.247658D+01 -0.347648D+01 -0.527070D+00 -0.318130D+01  0.266170D+01
      2  -0.784107D+01  0.111657D+01  0.616353D-01 -0.422368D+02 -0.632923D+00
      3   0.113113D+02  0.138584D+01 -0.350825D+00 -0.828161D+01 -0.202471D+01
                36            37            38            39            40 
      1   0.297467D+01 -0.145159D+01  0.191316D+00 -0.183617D+00  0.289318D+01
      2   0.782594D+01 -0.333692D+02 -0.257299D+01  0.105790D+02  0.734200D+01
      3   0.174331D+01 -0.226793D+02 -0.122437D+02  0.258717D+01  0.115960D+02
                41            42            43            44            45 
      1  -0.777865D+00  0.385841D-01  0.919037D+01  0.507367D+01 -0.119006D+01
      2  -0.280784D+00 -0.382471D+00  0.187732D+02 -0.124713D+01 -0.833052D+01
      3  -0.497625D+01 -0.341721D+01  0.831105D+01 -0.724657D+00 -0.292854D+00
                46            47            48            49            50 
      1  -0.159585D+01  0.276503D+01 -0.196396D+01  0.254825D+01 -0.191376D+01
      2   0.679852D+01  0.480690D+01 -0.125162D+02  0.142554D+02  0.196779D+01
      3   0.350082D+01  0.498982D+01 -0.142579D+01  0.427712D+02  0.277331D+02
                51            52            53            54            55 
      1   0.430134D+01  0.567723D+01  0.802442D+01  0.352213D+01  0.247068D+01
      2  -0.886789D+01 -0.230136D+02 -0.258673D+00  0.370713D+01 -0.150877D+01
      3  -0.133485D+01  0.741390D+00  0.398886D+01  0.147004D+01 -0.178211D+01
                56            57            58            59            60 
      1  -0.441345D+00 -0.737279D-01 -0.254031D+00  0.361035D+00 -0.948627D+01
      2  -0.134671D+00  0.771972D+01 -0.137434D+02 -0.173293D+01  0.129787D+02
      3  -0.937490D+01 -0.168211D+01 -0.252358D+02 -0.434554D+02 -0.189739D+01
                61            62            63            64            65 
      1  -0.257278D+00  0.102469D+01 -0.221849D+01 -0.542992D+01  0.382861D+01
      2   0.501236D+01  0.667866D+01  0.304707D+01 -0.112336D+02  0.108452D+02
      3  -0.478913D+01 -0.553307D+01 -0.785462D+01  0.196330D+01 -0.181292D+02
                66            67            68            69            70 
      1  -0.762352D+01  0.349909D+01 -0.303667D+01 -0.450141D+01 -0.112323D+02
      2  -0.951213D+01  0.966968D+01  0.619692D+00 -0.384457D+01 -0.186315D+02
      3  -0.592170D+01 -0.515482D+01 -0.209412D+02 -0.479863D+01 -0.437379D+01
                71            72            73            74            75 
      1   0.179227D+01  0.879276D+01 -0.344624D+01  0.342457D+01  0.410741D+01
      2   0.188804D+00  0.120949D+02  0.108721D+01 -0.134167D+01 -0.899346D+01
      3  -0.462933D+01  0.930371D+01  0.747351D+01 -0.159982D+02  0.749078D+01
                76            77            78            79            80 
      1   0.103113D+01  0.346222D+01  0.492481D+00  0.895009D+01  0.655458D+01
      2  -0.482964D+01 -0.216463D+01 -0.594309D+01 -0.233564D+02 -0.915942D+01
      3  -0.622960D+01 -0.161577D+02  0.160919D+00  0.751914D+01 -0.115744D+01
                81            82            83            84            85 
      1   0.200930D+01  0.499492D+01 -0.619420D+01 -0.268688D+01 -0.936533D+01
      2  -0.600110D+01 -0.572995D+01  0.233314D+01  0.243068D+01  0.632054D+01
      3   0.202634D+01 -0.105068D+02 -0.616821D+00 -0.884224D+01  0.786853D+01
                86            87            88            89            90 
      1  -0.104633D+02  0.947294D+00 -0.164790D+01  0.876369D+01  0.137390D+01
      2   0.416831D+01 -0.122248D+01 -0.253848D+01 -0.305172D+00 -0.262296D+00
      3   0.619916D+01  0.660188D+00 -0.122295D+02  0.182793D+00  0.665160D+01
                91            92            93            94            95 
      1   0.538413D+00  0.157312D+01  0.245761D+01  0.482057D+01 -0.358086D+01
      2  -0.558578D+01  0.588025D+01  0.116773D+02  0.764750D+01 -0.499777D+01
      3   0.203802D+02  0.233657D+01 -0.625381D+01  0.212496D+02 -0.152680D+02
                96            97            98            99           100 
      1   0.926362D+00 -0.764358D+01  0.899407D+01  0.201401D+01  0.379458D+01
      2   0.126547D+02 -0.132707D+02  0.217106D+02  0.165029D+02 -0.846195D+01
      3   0.166491D+01 -0.624567D+01  0.542969D+01 -0.169732D+02  0.382085D+01
               101           102           103           104           105 
      1  -0.185698D+00 -0.358794D+01  0.625575D+00  0.609804D+00 -0.157922D+01
      2  -0.155686D+01  0.910894D+01 -0.159870D+01 -0.164502D+01  0.178303D+01
      3  -0.386030D+01 -0.201302D+01 -0.246436D+00  0.518538D+00  0.145784D+01
               106           107           108           109           110 
      1  -0.383165D+01  0.192110D+00  0.410624D+01 -0.186720D+01 -0.234690D+00
      2   0.668118D+01  0.307951D+01 -0.900075D+01  0.254241D+01  0.217634D+01
      3  -0.367156D+01  0.479632D+01  0.533435D+00  0.262193D+00 -0.189903D+01
               111           112           113           114           115 
      1  -0.293972D+01 -0.142189D+01 -0.121988D+01 -0.273560D+01 -0.486861D+01
      2   0.701931D+01  0.137359D+01  0.458741D+01  0.472816D+01  0.989830D+01
      3  -0.297871D+00 -0.682502D+00 -0.281063D+01 -0.278194D+01 -0.440560D+00
               116           117           118           119           120 
      1   0.556351D+00 -0.804664D+01  0.402195D+00 -0.142956D+01 -0.404974D+00
      2   0.688378D+01  0.174673D+02  0.548544D+01 -0.105228D+01  0.109615D+01
      3  -0.674670D+01 -0.191577D+01  0.197195D+01 -0.160076D+01 -0.713326D+00
               121           122           123           124           125 
      1  -0.316468D+01 -0.288868D+00  0.550640D+00  0.107386D+01  0.405456D+01
      2  -0.521930D+01  0.580553D+00 -0.779380D+00 -0.275591D+01 -0.803220D+00
      3   0.120354D+01 -0.223296D+00  0.517872D+00 -0.912184D+00  0.155841D+01
               126           127           128           129           130 
      1   0.306281D+01 -0.300320D+01  0.193081D+01  0.416320D+01  0.167194D+01
      2  -0.420086D+01  0.268927D+01 -0.805891D+00 -0.419750D+00 -0.121599D+01
      3   0.127742D+01 -0.846498D+01  0.158947D+01  0.473730D+01  0.348039D+01
               131           132           133           134           135 
      1  -0.179549D+01 -0.363332D+01  0.313427D+01 -0.212717D+01 -0.858131D+01
      2   0.999422D+00  0.911685D+00 -0.340126D+01  0.186411D+01  0.254031D+01
      3  -0.526485D+01 -0.268726D+01  0.779245D+01 -0.412718D+01 -0.619225D+01
               136           137           138           139           140 
      1   0.226458D+00  0.547209D+00  0.470872D+00 -0.425254D+00  0.366429D+01
      2   0.344707D+00  0.246558D+00  0.473531D+00  0.726407D+00 -0.315349D+01
      3  -0.148474D+01  0.103767D+01 -0.398282D+00  0.443979D+01 -0.104252D+02
               141           142           143           144           145 
      1  -0.647678D+01  0.527712D+00 -0.396164D+01  0.688776D+01 -0.352633D+01
      2   0.225196D+01 -0.213708D+01  0.339856D+01 -0.335640D+01  0.653210D+01
      3   0.465770D+01 -0.227511D+01  0.604627D+01 -0.567774D+01  0.740782D+01
               146           147           148           149           150 
      1  -0.557189D+01 -0.124123D+01 -0.470865D+01 -0.968401D+01 -0.178314D+01
      2   0.453984D+01 -0.110666D+01  0.520459D+01  0.791848D+01 -0.179285D+01
      3   0.540774D+01 -0.121008D+01  0.830862D+01  0.113045D+02 -0.279657D+01
               151           152           153           154           155 
      1  -0.110721D+01  0.631237D+00 -0.140420D+01  0.429801D+01 -0.562430D+01
      2  -0.133057D+01 -0.787988D+00  0.757856D+00  0.976713D+01 -0.423192D+01
      3   0.119069D+01  0.295096D+00  0.150775D+01 -0.372668D+00  0.203656D+00
               156           157           158           159           160 
      1  -0.215853D+01 -0.479690D+01  0.769667D+01  0.236822D+01 -0.223657D+01
      2  -0.396031D+01 -0.644367D+01  0.600707D+01  0.559623D+01 -0.527613D+01
      3  -0.200213D+00  0.254463D+01 -0.923111D+00 -0.867054D+00  0.357169D+00
               161           162           163           164           165 
      1   0.450064D+01  0.392824D+01  0.113220D+01  0.184874D+01  0.220250D+01
      2   0.382500D+01  0.565686D+01 -0.294551D+01 -0.585469D+00  0.408467D+01
      3  -0.754376D-01 -0.104767D+01 -0.185087D+01 -0.273521D+01 -0.209947D+00
               166           167           168           169           170 
      1   0.398296D+00 -0.980806D+00  0.281426D+00  0.125815D+01  0.258419D+01
      2   0.836382D+00  0.154579D+01  0.196625D+00 -0.329795D+01 -0.110404D+00
      3   0.141098D+00  0.190321D+01 -0.144379D+01 -0.184095D+01 -0.171883D+01
               171           172           173           174           175 
      1   0.289116D+01 -0.275620D+01 -0.121966D+01  0.409294D+01 -0.955710D+00
      2   0.350221D+01 -0.339326D+01 -0.743961D+00  0.697442D+01 -0.126131D+01
      3  -0.795468D+00 -0.284440D+01 -0.979680D+00  0.341322D+01 -0.103561D+00
               176           177           178           179           180 
      1  -0.252138D+01  0.213947D+01  0.499365D+01  0.430193D+01 -0.113047D+02
      2  -0.264363D+01  0.461655D+01  0.595397D+01  0.669256D+00 -0.200247D+02
      3  -0.185644D+01  0.365326D+01  0.339666D+01  0.560141D+01 -0.506562D+01
               181           182           183           184           185 
      1   0.955306D+00  0.374792D+00 -0.164101D+01  0.360307D+00  0.235748D+01
      2  -0.955049D+00 -0.303507D+01 -0.552333D+00 -0.194320D+01 -0.453679D+01
      3   0.796852D+01  0.124260D+02  0.238360D+01  0.765047D+01  0.277833D+02
               186           187           188           189           190 
      1  -0.375022D+01  0.227103D+00 -0.372945D-01 -0.132812D+01  0.550218D+01
      2  -0.277920D+01 -0.293830D+00 -0.323905D+01 -0.232981D+01  0.103688D+02
      3   0.474904D+01  0.164906D+01  0.367501D+01  0.325092D+01 -0.362143D+01
               191           192           193           194           195 
      1  -0.200922D+01  0.468607D+01 -0.231399D+01  0.173115D+01 -0.178952D+01
      2  -0.456074D+01  0.101236D+02 -0.373489D+01  0.299116D+01 -0.185432D+01
      3  -0.340694D+01 -0.677728D+00 -0.100497D+01  0.423018D+01 -0.514021D+00
               196           197           198           199           200 
      1   0.464366D+01 -0.579724D+00  0.361298D+01 -0.887999D+00  0.505516D+00
      2   0.893842D+01 -0.318809D+01  0.785556D+01  0.964953D+00 -0.615090D+00
      3  -0.290725D+00 -0.377459D+01 -0.119053D+01  0.100643D+01  0.247241D+00
               201           202           203           204           205 
      1  -0.738996D+00  0.121995D+01  0.557957D+01 -0.241616D+01 -0.584981D+01
      2   0.569840D-01 -0.240423D+01 -0.523745D+00  0.160490D+01 -0.113481D+01
      3  -0.249219D+00  0.451788D+01 -0.335283D+01  0.166543D+00  0.123485D+01
               206           207           208           209           210 
      1   0.100669D+01  0.347981D+00 -0.161463D+01  0.107381D+00  0.267861D+00
      2   0.117417D+01 -0.710413D-01 -0.393562D+01  0.149019D+00  0.684065D+00
      3  -0.103491D-01 -0.153093D+01  0.380420D+01  0.166974D+01  0.160903D+00
               211           212           213           214           215 
      1   0.169700D+01 -0.838792D+00 -0.377233D+01 -0.627443D+01  0.112786D+00
      2   0.263769D+01 -0.293515D+01 -0.241036D+01 -0.100822D+02 -0.187669D+01
      3   0.459113D+01  0.113153D+02  0.217097D+01  0.127299D+01  0.225564D+01
               216           217           218           219           220 
      1   0.279818D-01  0.186525D+00 -0.920576D+00  0.669905D+00 -0.279138D+01
      2   0.546296D+00  0.119394D+01 -0.251594D+01  0.272609D+01 -0.415368D+01
      3   0.128933D+01  0.285401D+00 -0.349694D+01  0.176385D+01 -0.912886D+01
               221           222           223           224           225 
      1   0.493862D+01 -0.438463D+01  0.292781D+01 -0.298074D+01  0.337381D+01
      2   0.101423D+02 -0.971574D+01  0.837826D+01 -0.117998D+02  0.806833D+01
      3   0.239664D+02 -0.739621D+01  0.505829D+01 -0.122280D+02  0.934354D+01
               226           227           228           229           230 
      1   0.557322D+00 -0.298978D+00 -0.107382D+01  0.110183D+00 -0.160543D+00
      2   0.103914D+00 -0.362770D+01 -0.511331D+01  0.739394D+00 -0.817746D+01
      3  -0.842533D+00  0.800467D+00  0.309048D+01 -0.318010D+01  0.972377D+01
               231           232           233           234           235 
      1  -0.232847D+01  0.192747D+01 -0.203169D+00 -0.547300D+01 -0.182441D+01
      2  -0.102791D+02  0.596779D+01 -0.139614D+02 -0.314449D+02  0.398068D+00
      3   0.716567D+01  0.794038D+00  0.842667D+01  0.114508D+02 -0.154776D+02
               236           237           238           239           240 
      1  -0.125424D+01  0.212322D+00 -0.116806D+01 -0.779227D+00 -0.797807D+00
      2  -0.246949D+00  0.627397D+01 -0.855692D+00  0.242761D+00  0.296831D+01
      3  -0.104792D+02  0.192829D+01 -0.891796D+01 -0.782680D+01  0.559137D+00
               241           242           243 
      1   0.105246D+01  0.603283D+00 -0.349789D+00
      2   0.279465D+01  0.227032D+00 -0.198643D+01
      3   0.175173D+01  0.141158D+00 -0.550249D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.697169D+01  0.558129D+01 -0.902392D+01  0.246899D+01  0.204290D+02
      2   0.695212D+01 -0.186621D+02  0.123172D+02 -0.143678D+02 -0.128426D+02
      3  -0.139238D+02  0.130808D+02 -0.329329D+01  0.118988D+02 -0.758638D+01
      4   0.767422D+01  0.812279D+01  0.128154D+02  0.101994D+02 -0.411211D+00
      5  -0.221850D+02  0.120085D+02 -0.263234D+02  0.119459D+02  0.340431D+01
      6   0.739861D+01  0.699969D+01  0.119077D+02  0.729654D+01  0.716471D+01
                 6             7             8             9            10 
      1   0.988954D+01 -0.521715D+01  0.126636D+02 -0.185265D+02 -0.548701D+01
      2   0.276559D+00  0.944022D+01 -0.223320D+01  0.105484D+02  0.104393D+00
      3  -0.101661D+02 -0.422307D+01 -0.104304D+02  0.797808D+01  0.538262D+01
      4  -0.731644D+01  0.154409D+02 -0.649039D+01  0.282780D+01 -0.211842D+02
      5   0.379666D+00 -0.259900D+02  0.527754D+01 -0.877926D+01  0.103436D+02
      6  -0.286190D+01  0.114354D+02 -0.207418D+01 -0.605759D+01 -0.100263D+02
                11            12            13            14            15 
      1  -0.800485D+01  0.158005D+01  0.306871D+01 -0.259337D+02 -0.968011D+01
      2   0.115174D+02 -0.135185D+01 -0.323339D-01  0.126508D+02  0.217137D+01
      3  -0.351253D+01 -0.228204D+00 -0.303637D+01  0.132828D+02  0.750873D+01
      4  -0.126713D+02 -0.129340D+02 -0.154431D+02 -0.221110D+02  0.567831D+01
      5  -0.114296D+02  0.151997D+02 -0.132658D+02  0.739885D+00  0.643143D+01
      6   0.742587D+01 -0.277324D+01  0.211235D+01 -0.106644D+02 -0.871120D+00
                16            17            18            19            20 
      1   0.111848D+01 -0.166414D+02  0.151528D+02  0.418581D+02  0.128970D+02
      2   0.639504D+01  0.680337D+01 -0.116020D+02 -0.169319D+02 -0.119966D+02
      3  -0.751352D+01  0.983804D+01 -0.355082D+01 -0.249262D+02 -0.900388D+00
      4  -0.229096D+02  0.131463D+02  0.143654D+01  0.275330D+02 -0.558677D+01
      5   0.239627D+02  0.210073D+01 -0.954417D+01  0.120175D+02  0.328503D+01
      6  -0.389394D+01 -0.580921D+00  0.809273D+01  0.111713D+02  0.147416D+01
                21            22            23            24            25 
      1  -0.487143D+01  0.137478D+01  0.283828D+01  0.325275D+01 -0.226972D+02
      2  -0.246974D+01 -0.236836D+01 -0.642123D+01 -0.140319D+01 -0.787668D+01
      3   0.734117D+01  0.993579D+00  0.358296D+01 -0.184956D+01  0.305739D+02
      4   0.505890D+01 -0.593881D+01 -0.210047D+01 -0.469170D+01  0.143376D+02
      5  -0.694533D+01  0.640805D+01 -0.997459D+00  0.409403D+01 -0.194440D+02
      6   0.295345D+00  0.105531D+01  0.413371D+01  0.291340D+01 -0.229808D+01
                26            27            28            29            30 
      1   0.795449D+01  0.114744D+02 -0.117609D+03 -0.412909D+01  0.788033D+01
      2  -0.610671D+01  0.136754D+02  0.461999D+02 -0.780757D-01 -0.244858D+01
      3  -0.184777D+01 -0.251498D+02  0.714092D+02  0.420716D+01 -0.543175D+01
      4  -0.102170D+02  0.311010D+01 -0.181498D+02 -0.828467D+01  0.178038D+01
      5   0.326012D+01  0.163615D+02 -0.105707D+02  0.149920D+01 -0.821911D+01
      6   0.351947D+01 -0.823193D+00 -0.937980D+01 -0.332305D+01  0.117793D+01
                31            32            33            34            35 
      1   0.394721D+02  0.430868D+01  0.329335D+01  0.393645D+02  0.770646D+01
      2  -0.180380D+02 -0.338836D+01 -0.211129D+01 -0.969169D+01 -0.530941D+01
      3  -0.214341D+02 -0.920321D+00 -0.118206D+01 -0.296728D+02 -0.239705D+01
      4   0.590697D+00 -0.368313D+01 -0.174654D+01  0.383120D+01  0.518482D+01
      5  -0.257579D+01 -0.281406D+01  0.651349D+00 -0.315756D+01 -0.142685D+01
      6  -0.100610D+01 -0.950882D+01 -0.209317D+01  0.449954D+00  0.306918D+01
                36            37            38            39            40 
      1  -0.268602D+02  0.135217D+03  0.842059D+01 -0.126524D+02 -0.372778D+02
      2  -0.109119D+01 -0.486396D+02 -0.136235D+01  0.351517D+01  0.175837D+02
      3   0.279514D+02 -0.865778D+02 -0.705824D+01  0.913724D+01  0.196941D+02
      4  -0.183369D+01  0.237039D+02  0.209523D+02 -0.303146D+01  0.218736D+02
      5   0.925326D+01  0.541691D+01 -0.549352D+00  0.157402D+02  0.301257D+00
      6  -0.273606D+01  0.897152D+01  0.264664D+01 -0.333848D+01  0.208207D+01
                41            42            43            44            45 
      1   0.953164D+01  0.772850D+01 -0.356355D+02  0.297437D+00  0.443707D+01
      2  -0.878866D+01 -0.357811D+01  0.163873D+02 -0.222519D+01 -0.624081D+01
      3  -0.742981D+00 -0.415039D+01  0.192482D+02  0.192775D+01  0.180374D+01
      4   0.814507D+01  0.315380D+01 -0.106543D+02  0.123608D+01 -0.296784D+01
      5   0.553967D+01 -0.504072D+01  0.239498D+02 -0.400425D+01 -0.528147D+01
      6  -0.235170D+01  0.412470D+01 -0.104581D+02  0.503782D+01 -0.569693D+00
                46            47            48            49            50 
      1  -0.525150D+02  0.835546D+01  0.413486D+01 -0.507167D+02 -0.213618D+02
      2   0.141255D+02 -0.750370D+01 -0.561107D+01  0.766836D+01 -0.294778D+01
      3   0.383895D+02 -0.851756D+00  0.147621D+01  0.430484D+02  0.243096D+02
      4  -0.757056D+01 -0.225351D+02 -0.343858D+01 -0.727889D+02 -0.491363D+02
      5   0.398044D+01 -0.693940D+01 -0.159955D+02 -0.223922D+02 -0.734613D+01
      6  -0.100705D+02  0.188292D+01  0.276585D+01 -0.913598D+01 -0.585007D+01
                51            52            53            54            55 
      1  -0.338638D+01  0.324779D+00 -0.831819D+01 -0.229552D+01  0.351923D+02
      2   0.522824D+01 -0.405534D+01 -0.120390D+00 -0.402983D+01 -0.143214D+02
      3  -0.184186D+01  0.373056D+01  0.843858D+01  0.632535D+01 -0.208709D+02
      4  -0.151780D+01 -0.208355D+02 -0.474106D+01 -0.356293D+01  0.259917D+02
      5  -0.654123D+01  0.281260D+01 -0.432412D+01  0.133924D+01  0.766958D+01
      6  -0.673720D+01  0.683599D+00  0.374208D+01 -0.467820D+01  0.242760D+01
                56            57            58            59            60 
      1   0.122359D+02  0.228056D+01  0.780798D+02  0.613602D+01 -0.442543D+01
      2  -0.261381D+01 -0.174567D+00 -0.195916D+02  0.290498D+02  0.573431D+00
      3  -0.962205D+01 -0.210600D+01 -0.584882D+02 -0.351859D+02  0.385200D+01
      4   0.257745D+02  0.433612D+01  0.793573D+02  0.834605D+02  0.550189D+01
      5   0.558342D+01  0.128605D+02  0.109186D+02  0.118711D+02  0.174531D+02
      6   0.160424D+01  0.213029D+01  0.103598D+02  0.679967D+01  0.149071D+02
                61            62            63            64            65 
      1   0.201856D+02  0.387599D+01 -0.198046D-01 -0.298866D+02  0.255433D+02
      2  -0.753463D+01 -0.106351D+01 -0.206889D+00  0.117528D+02 -0.236530D+02
      3  -0.126509D+02 -0.281248D+01  0.226694D+00  0.181338D+02 -0.189030D+01
      4   0.162232D+02  0.909069D+01  0.202440D+02  0.230107D+02  0.937310D+01
      5   0.221547D+02  0.201010D+02  0.100489D+02 -0.162147D+02  0.167316D+02
      6   0.102542D+02  0.137289D+02  0.621798D+01  0.110819D+02 -0.139197D+02
                66            67            68            69            70 
      1  -0.118851D+02  0.162682D+02  0.305692D+02  0.195797D+02 -0.202023D+02
      2  -0.419422D+01 -0.134732D+02 -0.274717D+02 -0.131770D+02 -0.301196D+01
      3   0.160793D+02 -0.279497D+01 -0.309755D+01 -0.640264D+01  0.232142D+02
      4   0.211235D+02  0.907906D+01  0.721028D+01 -0.735068D+01  0.279192D+02
      5  -0.189433D+02  0.185459D+02 -0.525186D+01 -0.117970D+02 -0.260262D+02
      6   0.590136D+01 -0.108787D+02 -0.185463D+01  0.310561D+01  0.828013D+01
                71            72            73            74            75 
      1   0.226544D+02 -0.244782D+02 -0.480080D+00 -0.151163D+02  0.217853D+02
      2  -0.132968D+02  0.242739D+02 -0.130080D+01  0.106598D+02 -0.127400D+02
      3  -0.935760D+01  0.204324D+00  0.178088D+01  0.445651D+01 -0.904526D+01
      4  -0.117538D+02  0.139566D+01 -0.140315D+02  0.184042D+01  0.339380D+01
      5  -0.521825D+01  0.288251D+02  0.110920D+02 -0.246279D+01 -0.205026D+02
      6   0.319805D+01 -0.576737D+01  0.425751D+01 -0.694328D+01 -0.716286D+01
                76            77            78            79            80 
      1  -0.173978D+02  0.128727D+02 -0.481819D+01  0.246106D+02 -0.255352D+00
      2   0.172290D+02  0.139689D+01  0.420879D+01 -0.140455D+02  0.584752D+00
      3   0.168722D+00 -0.142696D+02  0.609400D+00 -0.105651D+02 -0.329400D+00
      4   0.963871D+01  0.364924D+02 -0.392567D+01 -0.248948D+01 -0.931806D+01
      5  -0.953917D+01  0.199263D+01 -0.126788D+02 -0.347970D+02 -0.171212D+02
      6  -0.281581D+01  0.817427D+00 -0.502473D+01 -0.143159D+02 -0.727373D+01
                81            82            83            84            85 
      1  -0.206001D+02 -0.172347D+02 -0.308098D+01 -0.141991D+02 -0.386015D+00
      2   0.136756D+02  0.148360D+02  0.826262D+01  0.135557D+02  0.348165D+01
      3   0.692447D+01  0.239866D+01 -0.518164D+01  0.643419D+00 -0.309563D+01
      4  -0.221866D+02 -0.108366D+01  0.101062D+02 -0.442900D+01  0.983494D+01
      5  -0.112534D+02 -0.719125D+01  0.218275D+01  0.136233D+01  0.571379D+01
      6  -0.938780D+01 -0.102492D+02  0.562486D+01  0.377005D+01  0.366319D+01
                86            87            88            89            90 
      1   0.119578D+02 -0.686119D+01 -0.169577D+02 -0.130030D+02  0.141952D+02
      2  -0.669252D+01  0.107443D+02  0.158360D+02  0.196561D+02 -0.162219D+02
      3  -0.526533D+01 -0.388314D+01  0.112166D+01 -0.665307D+01  0.202668D+01
      4  -0.303572D+01  0.127304D+02 -0.401243D+01  0.180935D+02 -0.133595D+01
      5   0.677353D+01 -0.261842D+01  0.334481D+01 -0.414308D+01  0.342805D+00
      6   0.186182D+02 -0.136857D+02  0.431693D+01 -0.189446D+02  0.266741D+01
                91            92            93            94            95 
      1  -0.297748D+02 -0.382620D+02 -0.622069D+00 -0.531304D+02 -0.159560D+02
      2   0.168578D+02  0.206215D+02  0.216733D+01  0.287738D+02  0.530286D+01
      3   0.129170D+02  0.176406D+02 -0.154526D+01  0.243565D+02  0.106531D+02
      4  -0.442303D+02  0.178106D+01  0.146140D+02 -0.208992D+02  0.288207D+02
      5  -0.654602D+01  0.159414D+02  0.137379D+02  0.166020D+02 -0.919085D+01
      6   0.647763D+01 -0.386957D+01 -0.570896D+01 -0.413759D+01  0.602347D+01
                96            97            98            99           100 
      1   0.142902D+02 -0.103979D+02  0.160037D+02  0.137378D+02  0.503807D+02
      2   0.112713D+00 -0.249506D-01  0.270064D+01 -0.381652D+01 -0.250110D+02
      3  -0.144029D+02  0.104229D+02 -0.187043D+02 -0.992124D+01 -0.253697D+02
      4  -0.959516D+01  0.179857D+02 -0.166696D+02  0.277423D+02  0.261006D+02
      5   0.221311D+02 -0.301995D+01  0.296657D+02  0.220016D+02 -0.222736D+02
      6  -0.644351D+01  0.290285D+01 -0.105873D+02 -0.886969D+01 -0.595211D+01
               101           102           103           104           105 
      1   0.108977D+02 -0.186963D+02  0.455439D+01  0.486331D+01 -0.655357D-01
      2  -0.312145D+01  0.985275D+01 -0.132922D+00 -0.835505D+00 -0.157653D+01
      3  -0.777625D+01  0.884358D+01 -0.442147D+01 -0.402780D+01  0.164207D+01
      4   0.147555D+02 -0.870260D+01  0.120790D+02  0.566105D+01 -0.563137D+01
      5  -0.432605D+01  0.177926D+02 -0.228078D+01 -0.556335D+01  0.378001D+01
      6  -0.188700D+01  0.553818D+01 -0.256896D+01 -0.284464D+01  0.404438D+01
               106           107           108           109           110 
      1  -0.297653D+02 -0.376309D+01  0.160309D+02  0.198534D+02  0.829524D+01
      2   0.162972D+02 -0.575529D+00 -0.114126D+02 -0.111872D+02 -0.391856D+01
      3   0.134681D+02  0.433862D+01 -0.461834D+01 -0.866624D+01 -0.437668D+01
      4  -0.156561D+02 -0.113497D+02  0.128698D+02  0.174976D+02  0.106884D+02
      5   0.246328D+02  0.829059D+01 -0.195959D+02  0.159878D+02  0.714554D+01
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               226           227           228           229           230 
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               231           232           233           234           235 
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               236           237           238           239           240 
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      2  -0.122784D+02  0.510819D+01 -0.244361D+02 -0.823372D+01  0.267129D+01
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      4   0.153354D+02 -0.273349D+01  0.208275D+02  0.140504D+02 -0.112025D+01
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      6  -0.143838D+01 -0.145318D-01 -0.249337D+01 -0.247609D+01  0.205843D+01
               241           242           243 
      1  -0.248358D+01 -0.228287D+01  0.942354D+01
      2   0.290308D+01  0.724258D+00 -0.669833D+01
      3  -0.419499D+00  0.155862D+01 -0.272521D+01
      4  -0.209454D+01  0.830883D+00  0.111710D+01
      5   0.149164D+02  0.159242D+01 -0.558803D+01
      6   0.419616D+00  0.253210D+01  0.455274D+00
 Leave Link  716 at Thu Aug 12 21:03:30 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171697D+03 -0.295356D+01 -0.581410D+01
      2  -0.295356D+01  0.119662D+03  0.230466D+01
      3  -0.581410D+01  0.230466D+01  0.101997D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.633424D+00  0.492473D+01 -0.711759D+01
      2   0.397130D+02 -0.109623D+02  0.303589D+02
      3   0.241242D+02 -0.120287D+02  0.123913D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.773502D+02 -0.128753D+02  0.219604D+02
      2   0.205484D+02  0.175832D+02 -0.332582D+02
      3   0.568018D+02 -0.470793D+01  0.112978D+02
      4   0.413750D+01  0.228338D+02 -0.235899D+02
      5   0.303515D+02 -0.252208D+02  0.781926D+02
      6  -0.398839D+01 -0.370457D+01  0.126135D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393562D+01  0.121137D+01 -0.417341D+01  0.148020D+00  0.369297D+01
      2   0.121137D+01  0.374272D+01  0.225077D+01  0.369297D+01  0.236093D+01
      3  -0.417341D+01  0.225077D+01 -0.353110D+01  0.224287D+01 -0.176346D+01
                 6             7             8             9            10 
      1   0.224287D+01 -0.346158D+01  0.275852D+01 -0.326493D+01  0.283726D+02
      2  -0.176346D+01  0.275852D+01 -0.958947D+00 -0.967292D+00 -0.234649D+01
      3  -0.170974D+01 -0.326493D+01 -0.967292D+00  0.701486D+00  0.390382D+01
                11            12            13            14            15 
      1  -0.234649D+01  0.390382D+01 -0.138144D+02 -0.223839D+01 -0.302188D+01
      2  -0.261676D+01 -0.215242D+01 -0.223839D+01 -0.470610D+01  0.102831D+01
      3  -0.215242D+01  0.355577D+01 -0.302188D+01  0.102831D+01  0.104026D+01
                16            17            18            19            20 
      1   0.173574D+02 -0.314997D+01  0.614547D+01 -0.441627D+02  0.174014D+01
      2  -0.314997D+01  0.217882D+01  0.588241D+00  0.174014D+01 -0.255117D+01
      3   0.614547D+01  0.588241D+00 -0.254865D+01 -0.121285D+00  0.106514D+01
                21            22            23            24            25 
      1  -0.121285D+00  0.122259D+02 -0.193287D+01  0.255532D+01 -0.696331D+01
      2   0.106514D+01 -0.193287D+01 -0.202031D+01 -0.162097D+01  0.243685D+01
      3  -0.306142D+01  0.255532D+01 -0.162097D+01  0.202384D+01 -0.725533D+01
                26            27            28            29            30 
      1   0.243685D+01 -0.725533D+01  0.591011D+02  0.408337D+00 -0.319825D+01
      2  -0.240121D+01  0.139862D+01  0.408337D+00  0.184835D+01 -0.640618D+00
      3   0.139862D+01  0.524528D+01 -0.319825D+01 -0.640618D+00  0.205912D+01
                31            32            33            34            35 
      1  -0.131500D+02  0.176844D+01 -0.428783D-01 -0.148076D+02 -0.182926D+01
      2   0.176844D+01  0.274519D+01  0.144600D+01 -0.182926D+01  0.949542D+00
      3  -0.428783D-01  0.144600D+01 -0.935756D+00  0.629916D+01 -0.230757D+00
                36            37            38            39            40 
      1   0.629916D+01 -0.520591D+02 -0.304138D+01  0.303044D+01  0.130217D+02
      2  -0.230757D+00 -0.304138D+01 -0.118144D+01  0.797420D+00 -0.362844D+01
      3  -0.414630D+01  0.303044D+01  0.797420D+00 -0.139584D+01 -0.725228D+00
                41            42            43            44            45 
      1  -0.362844D+01 -0.725228D+00  0.159374D+02  0.145452D+01 -0.478832D+01
      2  -0.238442D+01 -0.137106D+01  0.145452D+01 -0.143794D+01  0.844041D+00
      3  -0.137106D+01  0.181147D+01 -0.478832D+01  0.844041D+00  0.216154D+01
                46            47            48            49            50 
      1   0.186848D+02  0.295413D+01 -0.120351D+01  0.273593D+02  0.943786D+01
      2   0.295413D+01  0.915324D-01  0.334109D+00  0.943786D+01  0.639550D+01
      3  -0.120351D+01  0.334109D+00 -0.468202D+00  0.274126D+00  0.367577D+00
                51            52            53            54            55 
      1   0.274126D+00  0.352432D+01  0.236364D+01 -0.101423D+01 -0.723410D+01
      2   0.367577D+00  0.236364D+01  0.122046D+01  0.530626D+00 -0.321489D+01
      3  -0.220589D+00 -0.101423D+01  0.530626D+00  0.726059D+00 -0.464106D+00
                56            57            58            59            60 
      1  -0.321489D+01 -0.464106D+00 -0.291037D+02 -0.109224D+02  0.477922D+00
      2  -0.167609D+01 -0.560113D+00 -0.109224D+02 -0.114955D+02 -0.642938D+00
      3  -0.560113D+00 -0.496045D+00  0.477922D+00 -0.642938D+00 -0.157384D+01
                61            62            63            64            65 
      1  -0.699447D+01 -0.233709D+01 -0.183413D+01 -0.741987D+01  0.220659D+01
      2  -0.233709D+01 -0.114703D+01 -0.284270D+01  0.220659D+01  0.318413D+01
      3  -0.183413D+01 -0.284270D+01 -0.133598D+01 -0.250475D+01  0.273482D+01
                66            67            68            69            70 
      1  -0.250475D+01  0.206095D+01  0.220499D+01  0.296532D+01 -0.513327D+01
      2   0.273482D+01  0.220499D+01  0.392447D+01 -0.125765D+00  0.298126D+01
      3  -0.291755D+01  0.296532D+01 -0.125765D+00 -0.186968D+01 -0.413905D+01
                71            72            73            74            75 
      1   0.298126D+01 -0.413905D+01 -0.330945D+01 -0.248522D+01  0.154918D+01
      2  -0.703120D+00 -0.773435D+00 -0.248522D+01  0.205398D+01 -0.747385D+00
      3  -0.773435D+00  0.440413D+01  0.154918D+01 -0.747385D+00 -0.286109D+01
                76            77            78            79            80 
      1  -0.364832D+01  0.224478D+01 -0.166854D+01 -0.137512D+01 -0.143752D+01
      2   0.224478D+01  0.599203D+01 -0.372634D+00 -0.143752D+01 -0.963210D+00
      3  -0.166854D+01 -0.372634D+00 -0.163807D+01 -0.510141D+01 -0.240276D+01
                81            82            83            84            85 
      1  -0.510141D+01 -0.380499D+01  0.192314D+01 -0.240129D+01  0.266178D+01
      2  -0.240276D+01  0.192314D+01  0.192783D+01  0.161877D+01  0.242043D+01
      3  -0.151240D+01 -0.240129D+01  0.161877D+01  0.931473D+00  0.129621D+01
                86            87            88            89            90 
      1   0.242043D+01  0.129621D+01 -0.268588D+01  0.179795D+01  0.133307D+01
      2  -0.137136D+01  0.311097D+01  0.179795D+01  0.426719D+01 -0.256774D+01
      3   0.311097D+01 -0.216255D+01  0.133307D+01 -0.256774D+01 -0.498153D+00
                91            92            93            94            95 
      1   0.296395D+01  0.478528D+01  0.807896D+00  0.752005D+01  0.314624D+01
      2   0.478528D+01  0.597546D+00 -0.170329D+01  0.314624D+01 -0.416331D+01
      3   0.807896D+00 -0.170329D+01 -0.131304D+01 -0.154971D+01  0.740796D+00
                96            97            98            99           100 
      1  -0.154971D+01  0.149052D+01 -0.169253D+01  0.267528D+00  0.646161D+01
      2   0.740796D+00 -0.169253D+01  0.135360D+01 -0.383958D+01  0.188131D+01
      3  -0.314999D+01  0.267528D+00 -0.383958D+01 -0.336475D+01 -0.270165D+01
               101           102           103           104           105 
      1   0.188131D+01 -0.270165D+01  0.528006D+00  0.101294D+01 -0.313049D+00
      2   0.145176D+01 -0.590223D+00  0.101294D+01  0.412279D+00 -0.610154D+00
      3  -0.590223D+00  0.216362D+01 -0.313049D+00 -0.610154D+00  0.495939D+00
               106           107           108           109           110 
      1  -0.496094D+01 -0.975063D+00  0.302021D+01  0.246556D+01  0.153883D+01
      2  -0.975063D+00 -0.146975D+01  0.118342D+01  0.153883D+01  0.796351D+00
      3   0.302021D+01  0.118342D+01 -0.264434D+01  0.176604D+01  0.840872D+00
               111           112           113           114           115 
      1   0.176604D+01  0.520261D+00  0.133820D+01  0.995786D+00  0.466106D+01
      2   0.840872D+00  0.133820D+01  0.146555D+01  0.145530D+01  0.211937D+01
      3   0.190904D+01  0.995786D+00  0.145530D+01  0.141859D+01  0.408762D+01
               116           117           118           119           120 
      1   0.211937D+01  0.408762D+01  0.723066D+01 -0.618291D+00 -0.191899D+01
      2   0.252912D+01  0.233169D+01 -0.618291D+00  0.509478D+00 -0.252758D-01
      3   0.233169D+01  0.542219D+01 -0.191899D+01 -0.252758D-01  0.192472D+01
               121           122           123           124           125 
      1  -0.501455D+01  0.846377D+00  0.302150D-01 -0.343476D+01 -0.285200D+00
      2   0.846377D+00 -0.294240D-01 -0.994174D+00 -0.285200D+00 -0.122960D+01
      3   0.302150D-01 -0.994174D+00 -0.992744D+00  0.391919D+01 -0.721429D+00
               126           127           128           129           130 
      1   0.391919D+01 -0.213149D+01  0.328147D+00  0.109822D+01  0.308169D+00
      2  -0.721429D+00  0.328147D+00 -0.168645D+01 -0.829925D+00 -0.970999D+00
      3  -0.871952D+01  0.109822D+01 -0.829925D+00 -0.137671D+01 -0.560445D+00
               131           132           133           134           135 
      1  -0.970999D+00 -0.560445D+00  0.180017D+01 -0.775865D+00 -0.101041D+01
      2   0.209353D+01  0.803652D+00 -0.775865D+00  0.184999D+01  0.171009D+01
      3   0.803652D+00  0.109493D+01 -0.101041D+01  0.171009D+01  0.291123D+01
               136           137           138           139           140 
      1   0.927556D+00  0.108572D+01 -0.403399D+00  0.156624D+00  0.217777D+00
      2   0.108572D+01 -0.195939D-01 -0.110012D+00  0.217777D+00  0.735941D+01
      3  -0.403399D+00 -0.110012D+00 -0.899455D-01 -0.186437D+00 -0.342935D+01
               141           142           143           144           145 
      1  -0.186437D+00 -0.974046D+00 -0.348440D+00 -0.192980D+00 -0.179788D+01
      2  -0.342935D+01 -0.348440D+00 -0.492510D+01  0.348498D+01 -0.168459D+01
      3   0.237798D+01 -0.192980D+00  0.348498D+01 -0.322836D+01  0.579668D+00
               146           147           148           149           150 
      1  -0.168459D+01  0.579668D+00 -0.134908D+01 -0.207237D+01  0.166137D+00
      2  -0.269710D+01  0.488891D+00 -0.207237D+01 -0.582697D+01  0.146340D+01
      3   0.488891D+00 -0.715882D+00  0.166137D+00  0.146340D+01 -0.148340D+01
               151           152           153           154           155 
      1  -0.292498D+00 -0.779606D-01 -0.228930D+00 -0.209459D+01  0.967657D+00
      2  -0.779606D-01  0.465333D-01 -0.619705D+00  0.967657D+00 -0.155164D+01
      3  -0.228930D+00 -0.619705D+00  0.214551D+00  0.141688D+01 -0.715551D+00
               156           157           158           159           160 
      1   0.141688D+01  0.137520D+01 -0.144182D+01 -0.927662D+00  0.955808D+00
      2  -0.715551D+00 -0.144182D+01  0.218467D+01  0.119535D+01 -0.756309D+00
      3  -0.164629D+01 -0.927662D+00  0.119535D+01  0.251220D+01 -0.903626D+00
               161           162           163           164           165 
      1  -0.756309D+00 -0.903626D+00  0.564745D+01 -0.146319D+01  0.386500D+01
      2   0.103771D+01  0.121611D+01 -0.146319D+01  0.115157D+01 -0.143388D+01
      3   0.121611D+01  0.252663D+01  0.386500D+01 -0.143388D+01  0.440483D+01
               166           167           168           169           170 
      1  -0.404750D+00  0.731992D+00 -0.742744D+00  0.221772D+01 -0.106568D+01
      2   0.731992D+00 -0.114373D+01  0.126301D+01 -0.106568D+01  0.982281D+00
      3  -0.742744D+00  0.126301D+01 -0.681142D+00  0.324083D+01 -0.119856D+01
               171           172           173           174           175 
      1   0.324083D+01  0.253551D+01 -0.163836D+00 -0.170376D+01  0.110564D+01
      2  -0.119856D+01 -0.163836D+00  0.516184D-01 -0.244907D+00 -0.347320D-01
      3   0.463061D+01 -0.170376D+01 -0.244907D+00  0.218213D+01 -0.897997D+00
               176           177           178           179           180 
      1  -0.347320D-01 -0.897997D+00 -0.245486D+01  0.117091D+00  0.336240D+01
      2   0.437651D+00 -0.831931D+00  0.117091D+00 -0.135721D+01 -0.257237D-02
      3  -0.831931D+00  0.155193D+01  0.336240D+01 -0.257237D-02 -0.691129D+01
               181           182           183           184           185 
      1  -0.930831D+00 -0.112101D+01  0.935749D-01 -0.150851D+01 -0.546598D+00
      2  -0.112101D+01 -0.343614D+01 -0.825354D+00 -0.546598D+00 -0.805999D+01
      3   0.935749D-01 -0.825354D+00 -0.586073D+00 -0.216158D+00 -0.128548D+01
               186           187           188           189           190 
      1  -0.216158D+00  0.501005D+00 -0.452903D+00  0.198755D+00  0.842111D+01
      2  -0.128548D+01 -0.452903D+00 -0.756290D+00 -0.109680D+01 -0.329507D+01
      3  -0.107882D+01  0.198755D+00 -0.109680D+01 -0.901332D+00  0.213593D+01
               191           192           193           194           195 
      1  -0.329507D+01  0.213593D+01 -0.142010D+01  0.176168D+01 -0.779558D+00
      2   0.179434D+01 -0.863952D+00  0.176168D+01 -0.190697D+01  0.601927D+00
      3  -0.863952D+00  0.188187D+01 -0.779558D+00  0.601927D+00 -0.253332D+00
               196           197           198           199           200 
      1   0.542264D+01 -0.217080D+01  0.244645D+01  0.492470D+00 -0.863072D+00
      2  -0.217080D+01  0.185404D+01 -0.801077D+00 -0.863072D+00 -0.326592D+00
      3   0.244645D+01 -0.801077D+00  0.166128D+01 -0.562424D+00 -0.111943D+00
               201           202           203           204           205 
      1  -0.562424D+00 -0.196450D+01 -0.334543D-01  0.329835D+00 -0.200859D+01
      2  -0.111943D+00 -0.334543D-01 -0.578328D+01 -0.171030D+01  0.438275D+00
      3  -0.488271D-01  0.329835D+00 -0.171030D+01 -0.153133D+01 -0.840285D+00
               206           207           208           209           210 
      1   0.438275D+00 -0.840285D+00 -0.868133D+00  0.129362D+01  0.555707D+00
      2  -0.128850D+01 -0.117617D+01  0.129362D+01  0.176493D+00 -0.132248D+00
      3  -0.117617D+01 -0.756207D+00  0.555707D+00 -0.132248D+00 -0.169225D+00
               211           212           213           214           215 
      1   0.224662D+01 -0.341519D+00 -0.302082D+00  0.775184D+00 -0.473924D+00
      2  -0.341519D+00  0.594984D+01  0.112799D+01 -0.473924D+00  0.136125D+01
      3  -0.302082D+00  0.112799D+01  0.896387D+00  0.322968D+00  0.642220D+00
               216           217           218           219           220 
      1   0.322968D+00 -0.297560D+01  0.536966D+00 -0.795204D+00  0.355169D+01
      2   0.642220D+00  0.536966D+00 -0.685388D+00  0.587503D+00 -0.328514D+01
      3   0.176947D+00 -0.795204D+00  0.587503D+00 -0.248362D+00  0.370649D+00
               221           222           223           224           225 
      1  -0.328514D+01  0.370649D+00 -0.257041D+01  0.174402D+01 -0.121171D+01
      2   0.624848D+01 -0.176187D+01  0.174402D+01 -0.305370D+01  0.238495D+01
      3  -0.176187D+01  0.227719D+01 -0.121171D+01  0.238495D+01 -0.188916D+01
               226           227           228           229           230 
      1  -0.886225D+00 -0.454640D+00  0.589222D+00  0.142585D+01 -0.138479D+01
      2  -0.454640D+00  0.542734D+00  0.649556D+00 -0.138479D+01  0.270060D+01
      3   0.589222D+00  0.649556D+00  0.101412D+01 -0.417841D+00  0.181072D+01
               231           232           233           234           235 
      1  -0.417841D+00  0.323434D+01 -0.680155D+00 -0.159946D+01 -0.969375D+01
      2   0.181072D+01 -0.680155D+00  0.213513D+01  0.296658D+01 -0.210956D+01
      3   0.234477D+01 -0.159946D+01  0.296658D+01  0.706852D+01  0.760435D+00
               236           237           238           239           240 
      1  -0.210956D+01  0.760435D+00 -0.483783D+01 -0.199119D+01  0.647825D+00
      2  -0.149206D+01  0.319239D+00 -0.199119D+01 -0.137878D+01  0.105084D+00
      3   0.319239D+00 -0.110108D+01  0.647825D+00  0.105084D+00 -0.564502D+00
               241           242           243 
      1   0.239712D+00  0.297167D+00 -0.125885D+01
      2   0.297167D+00 -0.740436D-01 -0.409866D-01
      3  -0.125885D+01 -0.409866D-01  0.606009D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.278423D+01  0.111770D+02  0.172898D+01  0.110909D+02  0.404190D+01
      2  -0.851509D+01  0.384194D+00  0.528033D+01  0.279104D+01 -0.116570D+02
      3  -0.117503D+01 -0.104137D+02  0.105676D+01 -0.555807D+01 -0.862262D+01
                 6             7             8             9            10 
      1  -0.824335D+01  0.258017D+01 -0.157660D+01 -0.349157D+01  0.713461D+01
      2  -0.772147D+01 -0.243565D+01 -0.634177D+01  0.674968D+01  0.323417D+02
      3  -0.237780D-01 -0.208229D+01 -0.640016D+00  0.439036D+01  0.486578D+01
                11            12            13            14            15 
      1  -0.523601D+01  0.227162D+01 -0.175107D+01 -0.199049D+00 -0.351591D+01
      2  -0.684874D+01  0.130728D+02 -0.204175D+02  0.524375D+01  0.225983D+01
      3   0.543989D+01  0.229928D+01  0.908898D+01  0.157197D+02 -0.138609D+01
                16            17            18            19            20 
      1   0.127201D+01  0.596510D+01 -0.112388D+01 -0.873067D+01  0.331154D+01
      2   0.190027D+02  0.227669D+01 -0.273239D+01 -0.324754D+02  0.359266D+01
      3   0.514961D+01 -0.314905D+00 -0.367163D+01 -0.697753D+01 -0.430654D+01
                21            22            23            24            25 
      1  -0.278716D+01  0.158207D+01  0.612135D+01 -0.132332D+01 -0.278356D+01
      2   0.690011D+00  0.161180D+02 -0.368269D+01  0.498061D+01 -0.220586D+02
      3   0.665235D+00  0.105302D+02 -0.115514D+01  0.120613D+01  0.121398D+01
                26            27            28            29            30 
      1   0.389928D+01 -0.326196D+01  0.672507D+01 -0.965265D+00  0.177381D+01
      2   0.321223D+01 -0.367561D+01  0.345830D+02  0.674779D+00 -0.689870D+01
      3   0.130785D+01 -0.148009D+01  0.148471D+02  0.356189D+01 -0.263362D+01
                31            32            33            34            35 
      1   0.247658D+01 -0.347648D+01 -0.527070D+00 -0.318130D+01  0.266170D+01
      2  -0.784107D+01  0.111657D+01  0.616353D-01 -0.422368D+02 -0.632923D+00
      3   0.113113D+02  0.138584D+01 -0.350825D+00 -0.828161D+01 -0.202471D+01
                36            37            38            39            40 
      1   0.297467D+01 -0.145159D+01  0.191316D+00 -0.183617D+00  0.289318D+01
      2   0.782594D+01 -0.333692D+02 -0.257299D+01  0.105790D+02  0.734200D+01
      3   0.174331D+01 -0.226793D+02 -0.122437D+02  0.258717D+01  0.115960D+02
                41            42            43            44            45 
      1  -0.777865D+00  0.385841D-01  0.919037D+01  0.507367D+01 -0.119006D+01
      2  -0.280784D+00 -0.382471D+00  0.187732D+02 -0.124713D+01 -0.833052D+01
      3  -0.497625D+01 -0.341721D+01  0.831105D+01 -0.724657D+00 -0.292854D+00
                46            47            48            49            50 
      1  -0.159585D+01  0.276503D+01 -0.196396D+01  0.254825D+01 -0.191376D+01
      2   0.679852D+01  0.480690D+01 -0.125162D+02  0.142554D+02  0.196779D+01
      3   0.350082D+01  0.498982D+01 -0.142579D+01  0.427712D+02  0.277331D+02
                51            52            53            54            55 
      1   0.430134D+01  0.567723D+01  0.802442D+01  0.352213D+01  0.247068D+01
      2  -0.886789D+01 -0.230136D+02 -0.258673D+00  0.370713D+01 -0.150877D+01
      3  -0.133485D+01  0.741390D+00  0.398886D+01  0.147004D+01 -0.178211D+01
                56            57            58            59            60 
      1  -0.441345D+00 -0.737279D-01 -0.254031D+00  0.361035D+00 -0.948627D+01
      2  -0.134671D+00  0.771972D+01 -0.137434D+02 -0.173293D+01  0.129787D+02
      3  -0.937490D+01 -0.168211D+01 -0.252358D+02 -0.434554D+02 -0.189739D+01
                61            62            63            64            65 
      1  -0.257278D+00  0.102469D+01 -0.221849D+01 -0.542992D+01  0.382861D+01
      2   0.501236D+01  0.667866D+01  0.304707D+01 -0.112336D+02  0.108452D+02
      3  -0.478913D+01 -0.553307D+01 -0.785462D+01  0.196330D+01 -0.181292D+02
                66            67            68            69            70 
      1  -0.762352D+01  0.349909D+01 -0.303667D+01 -0.450141D+01 -0.112323D+02
      2  -0.951213D+01  0.966968D+01  0.619692D+00 -0.384457D+01 -0.186315D+02
      3  -0.592170D+01 -0.515482D+01 -0.209412D+02 -0.479863D+01 -0.437379D+01
                71            72            73            74            75 
      1   0.179227D+01  0.879276D+01 -0.344624D+01  0.342457D+01  0.410741D+01
      2   0.188804D+00  0.120949D+02  0.108721D+01 -0.134167D+01 -0.899346D+01
      3  -0.462933D+01  0.930371D+01  0.747351D+01 -0.159982D+02  0.749078D+01
                76            77            78            79            80 
      1   0.103113D+01  0.346222D+01  0.492481D+00  0.895009D+01  0.655458D+01
      2  -0.482964D+01 -0.216463D+01 -0.594309D+01 -0.233564D+02 -0.915942D+01
      3  -0.622960D+01 -0.161577D+02  0.160919D+00  0.751914D+01 -0.115744D+01
                81            82            83            84            85 
      1   0.200930D+01  0.499492D+01 -0.619420D+01 -0.268688D+01 -0.936533D+01
      2  -0.600110D+01 -0.572995D+01  0.233314D+01  0.243068D+01  0.632054D+01
      3   0.202634D+01 -0.105068D+02 -0.616821D+00 -0.884224D+01  0.786853D+01
                86            87            88            89            90 
      1  -0.104633D+02  0.947294D+00 -0.164790D+01  0.876369D+01  0.137390D+01
      2   0.416831D+01 -0.122248D+01 -0.253848D+01 -0.305172D+00 -0.262296D+00
      3   0.619916D+01  0.660188D+00 -0.122295D+02  0.182793D+00  0.665160D+01
                91            92            93            94            95 
      1   0.538413D+00  0.157312D+01  0.245761D+01  0.482057D+01 -0.358086D+01
      2  -0.558578D+01  0.588025D+01  0.116773D+02  0.764750D+01 -0.499777D+01
      3   0.203802D+02  0.233657D+01 -0.625381D+01  0.212496D+02 -0.152680D+02
                96            97            98            99           100 
      1   0.926362D+00 -0.764358D+01  0.899407D+01  0.201401D+01  0.379458D+01
      2   0.126547D+02 -0.132707D+02  0.217106D+02  0.165029D+02 -0.846195D+01
      3   0.166491D+01 -0.624567D+01  0.542969D+01 -0.169732D+02  0.382085D+01
               101           102           103           104           105 
      1  -0.185698D+00 -0.358794D+01  0.625575D+00  0.609804D+00 -0.157922D+01
      2  -0.155686D+01  0.910894D+01 -0.159870D+01 -0.164502D+01  0.178303D+01
      3  -0.386030D+01 -0.201302D+01 -0.246436D+00  0.518538D+00  0.145784D+01
               106           107           108           109           110 
      1  -0.383165D+01  0.192110D+00  0.410624D+01 -0.186720D+01 -0.234690D+00
      2   0.668118D+01  0.307951D+01 -0.900075D+01  0.254241D+01  0.217634D+01
      3  -0.367156D+01  0.479632D+01  0.533435D+00  0.262193D+00 -0.189903D+01
               111           112           113           114           115 
      1  -0.293972D+01 -0.142189D+01 -0.121988D+01 -0.273560D+01 -0.486861D+01
      2   0.701931D+01  0.137359D+01  0.458741D+01  0.472816D+01  0.989830D+01
      3  -0.297871D+00 -0.682502D+00 -0.281063D+01 -0.278194D+01 -0.440560D+00
               116           117           118           119           120 
      1   0.556351D+00 -0.804664D+01  0.402195D+00 -0.142956D+01 -0.404974D+00
      2   0.688378D+01  0.174673D+02  0.548544D+01 -0.105228D+01  0.109615D+01
      3  -0.674670D+01 -0.191577D+01  0.197195D+01 -0.160076D+01 -0.713326D+00
               121           122           123           124           125 
      1  -0.316468D+01 -0.288868D+00  0.550640D+00  0.107386D+01  0.405456D+01
      2  -0.521930D+01  0.580553D+00 -0.779380D+00 -0.275591D+01 -0.803220D+00
      3   0.120354D+01 -0.223296D+00  0.517872D+00 -0.912184D+00  0.155841D+01
               126           127           128           129           130 
      1   0.306281D+01 -0.300320D+01  0.193081D+01  0.416320D+01  0.167194D+01
      2  -0.420086D+01  0.268927D+01 -0.805891D+00 -0.419750D+00 -0.121599D+01
      3   0.127742D+01 -0.846498D+01  0.158947D+01  0.473730D+01  0.348039D+01
               131           132           133           134           135 
      1  -0.179549D+01 -0.363332D+01  0.313427D+01 -0.212717D+01 -0.858131D+01
      2   0.999422D+00  0.911685D+00 -0.340126D+01  0.186411D+01  0.254031D+01
      3  -0.526485D+01 -0.268726D+01  0.779245D+01 -0.412718D+01 -0.619225D+01
               136           137           138           139           140 
      1   0.226458D+00  0.547209D+00  0.470872D+00 -0.425254D+00  0.366429D+01
      2   0.344707D+00  0.246558D+00  0.473531D+00  0.726407D+00 -0.315349D+01
      3  -0.148474D+01  0.103767D+01 -0.398282D+00  0.443979D+01 -0.104252D+02
               141           142           143           144           145 
      1  -0.647678D+01  0.527712D+00 -0.396164D+01  0.688776D+01 -0.352633D+01
      2   0.225196D+01 -0.213708D+01  0.339856D+01 -0.335640D+01  0.653210D+01
      3   0.465770D+01 -0.227511D+01  0.604627D+01 -0.567774D+01  0.740782D+01
               146           147           148           149           150 
      1  -0.557189D+01 -0.124123D+01 -0.470865D+01 -0.968401D+01 -0.178314D+01
      2   0.453984D+01 -0.110666D+01  0.520459D+01  0.791848D+01 -0.179285D+01
      3   0.540774D+01 -0.121008D+01  0.830862D+01  0.113045D+02 -0.279657D+01
               151           152           153           154           155 
      1  -0.110721D+01  0.631237D+00 -0.140420D+01  0.429801D+01 -0.562430D+01
      2  -0.133057D+01 -0.787988D+00  0.757856D+00  0.976713D+01 -0.423192D+01
      3   0.119069D+01  0.295096D+00  0.150775D+01 -0.372668D+00  0.203656D+00
               156           157           158           159           160 
      1  -0.215853D+01 -0.479690D+01  0.769667D+01  0.236822D+01 -0.223657D+01
      2  -0.396031D+01 -0.644367D+01  0.600707D+01  0.559623D+01 -0.527613D+01
      3  -0.200213D+00  0.254463D+01 -0.923111D+00 -0.867054D+00  0.357169D+00
               161           162           163           164           165 
      1   0.450064D+01  0.392824D+01  0.113220D+01  0.184874D+01  0.220250D+01
      2   0.382500D+01  0.565686D+01 -0.294551D+01 -0.585469D+00  0.408467D+01
      3  -0.754376D-01 -0.104767D+01 -0.185087D+01 -0.273521D+01 -0.209947D+00
               166           167           168           169           170 
      1   0.398296D+00 -0.980806D+00  0.281426D+00  0.125815D+01  0.258419D+01
      2   0.836382D+00  0.154579D+01  0.196625D+00 -0.329795D+01 -0.110404D+00
      3   0.141098D+00  0.190321D+01 -0.144379D+01 -0.184095D+01 -0.171883D+01
               171           172           173           174           175 
      1   0.289116D+01 -0.275620D+01 -0.121966D+01  0.409294D+01 -0.955710D+00
      2   0.350221D+01 -0.339326D+01 -0.743961D+00  0.697442D+01 -0.126131D+01
      3  -0.795468D+00 -0.284440D+01 -0.979680D+00  0.341322D+01 -0.103561D+00
               176           177           178           179           180 
      1  -0.252138D+01  0.213947D+01  0.499365D+01  0.430193D+01 -0.113047D+02
      2  -0.264363D+01  0.461655D+01  0.595397D+01  0.669256D+00 -0.200247D+02
      3  -0.185644D+01  0.365326D+01  0.339666D+01  0.560141D+01 -0.506562D+01
               181           182           183           184           185 
      1   0.955306D+00  0.374792D+00 -0.164101D+01  0.360307D+00  0.235748D+01
      2  -0.955049D+00 -0.303507D+01 -0.552333D+00 -0.194320D+01 -0.453679D+01
      3   0.796852D+01  0.124260D+02  0.238360D+01  0.765047D+01  0.277833D+02
               186           187           188           189           190 
      1  -0.375022D+01  0.227103D+00 -0.372945D-01 -0.132812D+01  0.550218D+01
      2  -0.277920D+01 -0.293830D+00 -0.323905D+01 -0.232981D+01  0.103688D+02
      3   0.474904D+01  0.164906D+01  0.367501D+01  0.325092D+01 -0.362143D+01
               191           192           193           194           195 
      1  -0.200922D+01  0.468607D+01 -0.231399D+01  0.173115D+01 -0.178952D+01
      2  -0.456074D+01  0.101236D+02 -0.373489D+01  0.299116D+01 -0.185432D+01
      3  -0.340694D+01 -0.677728D+00 -0.100497D+01  0.423018D+01 -0.514021D+00
               196           197           198           199           200 
      1   0.464366D+01 -0.579724D+00  0.361298D+01 -0.887999D+00  0.505516D+00
      2   0.893842D+01 -0.318809D+01  0.785556D+01  0.964953D+00 -0.615090D+00
      3  -0.290725D+00 -0.377459D+01 -0.119053D+01  0.100643D+01  0.247241D+00
               201           202           203           204           205 
      1  -0.738996D+00  0.121995D+01  0.557957D+01 -0.241616D+01 -0.584981D+01
      2   0.569840D-01 -0.240423D+01 -0.523745D+00  0.160490D+01 -0.113481D+01
      3  -0.249219D+00  0.451788D+01 -0.335283D+01  0.166543D+00  0.123485D+01
               206           207           208           209           210 
      1   0.100669D+01  0.347981D+00 -0.161463D+01  0.107381D+00  0.267861D+00
      2   0.117417D+01 -0.710413D-01 -0.393562D+01  0.149019D+00  0.684065D+00
      3  -0.103491D-01 -0.153093D+01  0.380420D+01  0.166974D+01  0.160903D+00
               211           212           213           214           215 
      1   0.169700D+01 -0.838792D+00 -0.377233D+01 -0.627443D+01  0.112786D+00
      2   0.263769D+01 -0.293515D+01 -0.241036D+01 -0.100822D+02 -0.187669D+01
      3   0.459113D+01  0.113153D+02  0.217097D+01  0.127299D+01  0.225564D+01
               216           217           218           219           220 
      1   0.279818D-01  0.186525D+00 -0.920576D+00  0.669905D+00 -0.279138D+01
      2   0.546296D+00  0.119394D+01 -0.251594D+01  0.272609D+01 -0.415368D+01
      3   0.128933D+01  0.285401D+00 -0.349694D+01  0.176385D+01 -0.912886D+01
               221           222           223           224           225 
      1   0.493862D+01 -0.438463D+01  0.292781D+01 -0.298074D+01  0.337381D+01
      2   0.101423D+02 -0.971574D+01  0.837826D+01 -0.117998D+02  0.806833D+01
      3   0.239664D+02 -0.739621D+01  0.505829D+01 -0.122280D+02  0.934354D+01
               226           227           228           229           230 
      1   0.557322D+00 -0.298978D+00 -0.107382D+01  0.110183D+00 -0.160543D+00
      2   0.103914D+00 -0.362770D+01 -0.511331D+01  0.739394D+00 -0.817746D+01
      3  -0.842533D+00  0.800467D+00  0.309048D+01 -0.318010D+01  0.972377D+01
               231           232           233           234           235 
      1  -0.232847D+01  0.192747D+01 -0.203169D+00 -0.547300D+01 -0.182441D+01
      2  -0.102791D+02  0.596779D+01 -0.139614D+02 -0.314449D+02  0.398068D+00
      3   0.716567D+01  0.794038D+00  0.842667D+01  0.114508D+02 -0.154776D+02
               236           237           238           239           240 
      1  -0.125424D+01  0.212322D+00 -0.116806D+01 -0.779227D+00 -0.797807D+00
      2  -0.246949D+00  0.627397D+01 -0.855692D+00  0.242761D+00  0.296831D+01
      3  -0.104792D+02  0.192829D+01 -0.891796D+01 -0.782680D+01  0.559137D+00
               241           242           243 
      1   0.105246D+01  0.603283D+00 -0.349789D+00
      2   0.279465D+01  0.227032D+00 -0.198643D+01
      3   0.175173D+01  0.141158D+00 -0.550249D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.697169D+01  0.558129D+01 -0.902392D+01  0.246899D+01  0.204290D+02
      2   0.695212D+01 -0.186621D+02  0.123172D+02 -0.143678D+02 -0.128426D+02
      3  -0.139238D+02  0.130808D+02 -0.329329D+01  0.118988D+02 -0.758638D+01
      4   0.767422D+01  0.812279D+01  0.128154D+02  0.101994D+02 -0.411211D+00
      5  -0.221850D+02  0.120085D+02 -0.263234D+02  0.119459D+02  0.340431D+01
      6   0.739861D+01  0.699969D+01  0.119077D+02  0.729654D+01  0.716471D+01
                 6             7             8             9            10 
      1   0.988954D+01 -0.521715D+01  0.126636D+02 -0.185265D+02 -0.548701D+01
      2   0.276559D+00  0.944022D+01 -0.223320D+01  0.105484D+02  0.104393D+00
      3  -0.101661D+02 -0.422307D+01 -0.104304D+02  0.797808D+01  0.538262D+01
      4  -0.731644D+01  0.154409D+02 -0.649039D+01  0.282780D+01 -0.211842D+02
      5   0.379666D+00 -0.259900D+02  0.527754D+01 -0.877926D+01  0.103436D+02
      6  -0.286190D+01  0.114354D+02 -0.207418D+01 -0.605759D+01 -0.100263D+02
                11            12            13            14            15 
      1  -0.800485D+01  0.158005D+01  0.306871D+01 -0.259337D+02 -0.968011D+01
      2   0.115174D+02 -0.135185D+01 -0.323339D-01  0.126508D+02  0.217137D+01
      3  -0.351253D+01 -0.228204D+00 -0.303637D+01  0.132828D+02  0.750873D+01
      4  -0.126713D+02 -0.129340D+02 -0.154431D+02 -0.221110D+02  0.567831D+01
      5  -0.114296D+02  0.151997D+02 -0.132658D+02  0.739885D+00  0.643143D+01
      6   0.742587D+01 -0.277324D+01  0.211235D+01 -0.106644D+02 -0.871120D+00
                16            17            18            19            20 
      1   0.111848D+01 -0.166414D+02  0.151528D+02  0.418581D+02  0.128970D+02
      2   0.639504D+01  0.680337D+01 -0.116020D+02 -0.169319D+02 -0.119966D+02
      3  -0.751352D+01  0.983804D+01 -0.355082D+01 -0.249262D+02 -0.900388D+00
      4  -0.229096D+02  0.131463D+02  0.143654D+01  0.275330D+02 -0.558677D+01
      5   0.239627D+02  0.210073D+01 -0.954417D+01  0.120175D+02  0.328503D+01
      6  -0.389394D+01 -0.580921D+00  0.809273D+01  0.111713D+02  0.147416D+01
                21            22            23            24            25 
      1  -0.487143D+01  0.137478D+01  0.283828D+01  0.325275D+01 -0.226972D+02
      2  -0.246974D+01 -0.236836D+01 -0.642123D+01 -0.140319D+01 -0.787668D+01
      3   0.734117D+01  0.993579D+00  0.358296D+01 -0.184956D+01  0.305739D+02
      4   0.505890D+01 -0.593881D+01 -0.210047D+01 -0.469170D+01  0.143376D+02
      5  -0.694533D+01  0.640805D+01 -0.997459D+00  0.409403D+01 -0.194440D+02
      6   0.295345D+00  0.105531D+01  0.413371D+01  0.291340D+01 -0.229808D+01
                26            27            28            29            30 
      1   0.795449D+01  0.114744D+02 -0.117609D+03 -0.412909D+01  0.788033D+01
      2  -0.610671D+01  0.136754D+02  0.461999D+02 -0.780757D-01 -0.244858D+01
      3  -0.184777D+01 -0.251498D+02  0.714092D+02  0.420716D+01 -0.543175D+01
      4  -0.102170D+02  0.311010D+01 -0.181498D+02 -0.828467D+01  0.178038D+01
      5   0.326012D+01  0.163615D+02 -0.105707D+02  0.149920D+01 -0.821911D+01
      6   0.351947D+01 -0.823193D+00 -0.937980D+01 -0.332305D+01  0.117793D+01
                31            32            33            34            35 
      1   0.394721D+02  0.430868D+01  0.329335D+01  0.393645D+02  0.770646D+01
      2  -0.180380D+02 -0.338836D+01 -0.211129D+01 -0.969169D+01 -0.530941D+01
      3  -0.214341D+02 -0.920321D+00 -0.118206D+01 -0.296728D+02 -0.239705D+01
      4   0.590697D+00 -0.368313D+01 -0.174654D+01  0.383120D+01  0.518482D+01
      5  -0.257579D+01 -0.281406D+01  0.651349D+00 -0.315756D+01 -0.142685D+01
      6  -0.100610D+01 -0.950882D+01 -0.209317D+01  0.449954D+00  0.306918D+01
                36            37            38            39            40 
      1  -0.268602D+02  0.135217D+03  0.842059D+01 -0.126524D+02 -0.372778D+02
      2  -0.109119D+01 -0.486396D+02 -0.136235D+01  0.351517D+01  0.175837D+02
      3   0.279514D+02 -0.865778D+02 -0.705824D+01  0.913724D+01  0.196941D+02
      4  -0.183369D+01  0.237039D+02  0.209523D+02 -0.303146D+01  0.218736D+02
      5   0.925326D+01  0.541691D+01 -0.549352D+00  0.157402D+02  0.301257D+00
      6  -0.273606D+01  0.897152D+01  0.264664D+01 -0.333848D+01  0.208207D+01
                41            42            43            44            45 
      1   0.953164D+01  0.772850D+01 -0.356355D+02  0.297437D+00  0.443707D+01
      2  -0.878866D+01 -0.357811D+01  0.163873D+02 -0.222519D+01 -0.624081D+01
      3  -0.742981D+00 -0.415039D+01  0.192482D+02  0.192775D+01  0.180374D+01
      4   0.814507D+01  0.315380D+01 -0.106543D+02  0.123608D+01 -0.296784D+01
      5   0.553967D+01 -0.504072D+01  0.239498D+02 -0.400425D+01 -0.528147D+01
      6  -0.235170D+01  0.412470D+01 -0.104581D+02  0.503782D+01 -0.569693D+00
                46            47            48            49            50 
      1  -0.525150D+02  0.835546D+01  0.413486D+01 -0.507167D+02 -0.213618D+02
      2   0.141255D+02 -0.750370D+01 -0.561107D+01  0.766836D+01 -0.294778D+01
      3   0.383895D+02 -0.851756D+00  0.147621D+01  0.430484D+02  0.243096D+02
      4  -0.757056D+01 -0.225351D+02 -0.343858D+01 -0.727889D+02 -0.491363D+02
      5   0.398044D+01 -0.693940D+01 -0.159955D+02 -0.223922D+02 -0.734613D+01
      6  -0.100705D+02  0.188292D+01  0.276585D+01 -0.913598D+01 -0.585007D+01
                51            52            53            54            55 
      1  -0.338638D+01  0.324779D+00 -0.831819D+01 -0.229552D+01  0.351923D+02
      2   0.522824D+01 -0.405534D+01 -0.120390D+00 -0.402983D+01 -0.143214D+02
      3  -0.184186D+01  0.373056D+01  0.843858D+01  0.632535D+01 -0.208709D+02
      4  -0.151780D+01 -0.208355D+02 -0.474106D+01 -0.356293D+01  0.259917D+02
      5  -0.654123D+01  0.281260D+01 -0.432412D+01  0.133924D+01  0.766958D+01
      6  -0.673720D+01  0.683599D+00  0.374208D+01 -0.467820D+01  0.242760D+01
                56            57            58            59            60 
      1   0.122359D+02  0.228056D+01  0.780798D+02  0.613602D+01 -0.442543D+01
      2  -0.261381D+01 -0.174567D+00 -0.195916D+02  0.290498D+02  0.573431D+00
      3  -0.962205D+01 -0.210600D+01 -0.584882D+02 -0.351859D+02  0.385200D+01
      4   0.257745D+02  0.433612D+01  0.793573D+02  0.834605D+02  0.550189D+01
      5   0.558342D+01  0.128605D+02  0.109186D+02  0.118711D+02  0.174531D+02
      6   0.160424D+01  0.213029D+01  0.103598D+02  0.679967D+01  0.149071D+02
                61            62            63            64            65 
      1   0.201856D+02  0.387599D+01 -0.198046D-01 -0.298866D+02  0.255433D+02
      2  -0.753463D+01 -0.106351D+01 -0.206889D+00  0.117528D+02 -0.236530D+02
      3  -0.126509D+02 -0.281248D+01  0.226694D+00  0.181338D+02 -0.189030D+01
      4   0.162232D+02  0.909069D+01  0.202440D+02  0.230107D+02  0.937310D+01
      5   0.221547D+02  0.201010D+02  0.100489D+02 -0.162147D+02  0.167316D+02
      6   0.102542D+02  0.137289D+02  0.621798D+01  0.110819D+02 -0.139197D+02
                66            67            68            69            70 
      1  -0.118851D+02  0.162682D+02  0.305692D+02  0.195797D+02 -0.202023D+02
      2  -0.419422D+01 -0.134732D+02 -0.274717D+02 -0.131770D+02 -0.301196D+01
      3   0.160793D+02 -0.279497D+01 -0.309755D+01 -0.640264D+01  0.232142D+02
      4   0.211235D+02  0.907906D+01  0.721028D+01 -0.735068D+01  0.279192D+02
      5  -0.189433D+02  0.185459D+02 -0.525186D+01 -0.117970D+02 -0.260262D+02
      6   0.590136D+01 -0.108787D+02 -0.185463D+01  0.310561D+01  0.828013D+01
                71            72            73            74            75 
      1   0.226544D+02 -0.244782D+02 -0.480080D+00 -0.151163D+02  0.217853D+02
      2  -0.132968D+02  0.242739D+02 -0.130080D+01  0.106598D+02 -0.127400D+02
      3  -0.935760D+01  0.204324D+00  0.178088D+01  0.445651D+01 -0.904526D+01
      4  -0.117538D+02  0.139566D+01 -0.140315D+02  0.184042D+01  0.339380D+01
      5  -0.521825D+01  0.288251D+02  0.110920D+02 -0.246279D+01 -0.205026D+02
      6   0.319805D+01 -0.576737D+01  0.425751D+01 -0.694328D+01 -0.716286D+01
                76            77            78            79            80 
      1  -0.173978D+02  0.128727D+02 -0.481819D+01  0.246106D+02 -0.255352D+00
      2   0.172290D+02  0.139689D+01  0.420879D+01 -0.140455D+02  0.584752D+00
      3   0.168722D+00 -0.142696D+02  0.609400D+00 -0.105651D+02 -0.329400D+00
      4   0.963871D+01  0.364924D+02 -0.392567D+01 -0.248948D+01 -0.931806D+01
      5  -0.953917D+01  0.199263D+01 -0.126788D+02 -0.347970D+02 -0.171212D+02
      6  -0.281581D+01  0.817427D+00 -0.502473D+01 -0.143159D+02 -0.727373D+01
                81            82            83            84            85 
      1  -0.206001D+02 -0.172347D+02 -0.308098D+01 -0.141991D+02 -0.386015D+00
      2   0.136756D+02  0.148360D+02  0.826262D+01  0.135557D+02  0.348165D+01
      3   0.692447D+01  0.239866D+01 -0.518164D+01  0.643419D+00 -0.309563D+01
      4  -0.221866D+02 -0.108366D+01  0.101062D+02 -0.442900D+01  0.983494D+01
      5  -0.112534D+02 -0.719125D+01  0.218275D+01  0.136233D+01  0.571379D+01
      6  -0.938780D+01 -0.102492D+02  0.562486D+01  0.377005D+01  0.366319D+01
                86            87            88            89            90 
      1   0.119578D+02 -0.686119D+01 -0.169577D+02 -0.130030D+02  0.141952D+02
      2  -0.669252D+01  0.107443D+02  0.158360D+02  0.196561D+02 -0.162219D+02
      3  -0.526533D+01 -0.388314D+01  0.112166D+01 -0.665307D+01  0.202668D+01
      4  -0.303572D+01  0.127304D+02 -0.401243D+01  0.180935D+02 -0.133595D+01
      5   0.677353D+01 -0.261842D+01  0.334481D+01 -0.414308D+01  0.342805D+00
      6   0.186182D+02 -0.136857D+02  0.431693D+01 -0.189446D+02  0.266741D+01
                91            92            93            94            95 
      1  -0.297748D+02 -0.382620D+02 -0.622069D+00 -0.531304D+02 -0.159560D+02
      2   0.168578D+02  0.206215D+02  0.216733D+01  0.287738D+02  0.530286D+01
      3   0.129170D+02  0.176406D+02 -0.154526D+01  0.243565D+02  0.106531D+02
      4  -0.442303D+02  0.178106D+01  0.146140D+02 -0.208992D+02  0.288207D+02
      5  -0.654602D+01  0.159414D+02  0.137379D+02  0.166020D+02 -0.919085D+01
      6   0.647763D+01 -0.386957D+01 -0.570896D+01 -0.413759D+01  0.602347D+01
                96            97            98            99           100 
      1   0.142902D+02 -0.103979D+02  0.160037D+02  0.137378D+02  0.503807D+02
      2   0.112713D+00 -0.249506D-01  0.270064D+01 -0.381652D+01 -0.250110D+02
      3  -0.144029D+02  0.104229D+02 -0.187043D+02 -0.992124D+01 -0.253697D+02
      4  -0.959516D+01  0.179857D+02 -0.166696D+02  0.277423D+02  0.261006D+02
      5   0.221311D+02 -0.301995D+01  0.296657D+02  0.220016D+02 -0.222736D+02
      6  -0.644351D+01  0.290285D+01 -0.105873D+02 -0.886969D+01 -0.595211D+01
               101           102           103           104           105 
      1   0.108977D+02 -0.186963D+02  0.455439D+01  0.486331D+01 -0.655357D-01
      2  -0.312145D+01  0.985275D+01 -0.132922D+00 -0.835505D+00 -0.157653D+01
      3  -0.777625D+01  0.884358D+01 -0.442147D+01 -0.402780D+01  0.164207D+01
      4   0.147555D+02 -0.870260D+01  0.120790D+02  0.566105D+01 -0.563137D+01
      5  -0.432605D+01  0.177926D+02 -0.228078D+01 -0.556335D+01  0.378001D+01
      6  -0.188700D+01  0.553818D+01 -0.256896D+01 -0.284464D+01  0.404438D+01
               106           107           108           109           110 
      1  -0.297653D+02 -0.376309D+01  0.160309D+02  0.198534D+02  0.829524D+01
      2   0.162972D+02 -0.575529D+00 -0.114126D+02 -0.111872D+02 -0.391856D+01
      3   0.134681D+02  0.433862D+01 -0.461834D+01 -0.866624D+01 -0.437668D+01
      4  -0.156561D+02 -0.113497D+02  0.128698D+02  0.174976D+02  0.106884D+02
      5   0.246328D+02  0.829059D+01 -0.195959D+02  0.159878D+02  0.714554D+01
      6   0.794351D+01  0.513524D+01 -0.655183D+01  0.751847D+01  0.442936D+01
               111           112           113           114           115 
      1   0.723078D+01  0.631790D+01 -0.138159D+01  0.207146D+00  0.138316D+02
      2  -0.503995D+01 -0.179440D+01  0.412598D+01  0.153508D+01 -0.105750D+02
      3  -0.219083D+01 -0.452349D+01 -0.274439D+01 -0.174223D+01 -0.325662D+01
      4   0.886965D+01  0.137837D+02  0.108256D+02  0.114708D+02  0.201461D+02
      5   0.171627D+02  0.774995D+01  0.100313D+02  0.969445D+01  0.307376D+02
      6   0.650472D+01  0.661334D+01  0.796680D+01  0.926859D+01  0.143481D+02
               116           117           118           119           120 
      1   0.156652D+01  0.640267D+01 -0.301991D+01 -0.216215D+00  0.160210D+01
      2   0.791448D+00 -0.124882D+02 -0.544932D+01  0.958318D+00  0.466084D+01
      3  -0.235797D+01  0.608554D+01  0.846923D+01 -0.742103D+00 -0.626294D+01
      4   0.192863D+02  0.202724D+02 -0.215447D+01  0.370753D+01 -0.365448D+00
      5   0.161652D+02  0.366526D+02 -0.103009D+02  0.610863D+00  0.124558D+02
      6   0.129261D+02  0.190920D+02 -0.817405D+00 -0.132063D+01  0.214026D+00
               121           122           123           124           125 
      1   0.660151D+01 -0.431743D+01 -0.236620D+01  0.101900D+02  0.694747D+00
      2  -0.169595D+01 -0.370440D+00 -0.113946D+01  0.664797D+01 -0.311982D+01
      3  -0.490556D+01  0.468787D+01  0.350566D+01 -0.168380D+02  0.242507D+01
      4   0.581901D+01  0.923996D+00 -0.311211D+01 -0.450415D+00 -0.357268D+01
      5   0.184499D+01 -0.311099D+01 -0.177099D+01  0.190146D+02 -0.168973D+01
      6  -0.149823D+01  0.133559D+01  0.689969D+01  0.195244D+01  0.451530D+01
               126           127           128           129           130 
      1  -0.241681D+02 -0.338282D+01  0.792640D+01  0.562979D+01  0.500338D+01
      2  -0.189754D+02  0.322741D+01 -0.101027D+02 -0.506348D+01 -0.578396D+01
      3   0.431434D+02  0.155412D+00  0.217628D+01 -0.566301D+00  0.780587D+00
      4  -0.109251D+01 -0.610748D+01  0.109737D+01  0.309911D+01  0.248783D+01
      5  -0.244655D+02  0.197395D+00 -0.320866D+00 -0.587085D+00 -0.431438D+00
      6  -0.121017D+01  0.619416D+01 -0.400551D+01 -0.615342D+01 -0.271075D+01
               131           132           133           134           135 
      1  -0.120381D+02 -0.473431D+01  0.925491D+01 -0.906960D+01 -0.131701D+02
      2   0.141217D+02  0.475628D+01 -0.623857D+01  0.100067D+02  0.871460D+01
      3  -0.208361D+01 -0.219701D-01 -0.301634D+01 -0.937065D+00  0.445547D+01
      4  -0.953174D+00 -0.122746D+01  0.584386D+01 -0.296663D+00 -0.200438D+01
      5   0.438912D+00  0.119949D+01  0.187475D-01  0.195932D+01  0.333911D+01
      6   0.453478D+01  0.822060D+01 -0.514789D+01  0.109394D+02  0.129293D+02
               136           137           138           139           140 
      1  -0.184076D+01  0.407073D+01 -0.819474D+00  0.253370D+01 -0.323705D+02
      2   0.328583D+01 -0.267921D+01 -0.103421D+00 -0.199020D+00  0.428489D+02
      3  -0.144507D+01 -0.139152D+01  0.922895D+00 -0.233468D+01 -0.104784D+02
      4   0.452192D+01  0.764484D+01 -0.302449D+01  0.781659D+01  0.191013D+02
      5  -0.836446D+00 -0.287212D+01  0.332493D+01 -0.209512D+01 -0.854613D+01
      6  -0.340634D+01 -0.322130D+00 -0.757253D+00 -0.110709D+01 -0.270070D+02
               141           142           143           144           145 
      1   0.155907D+02 -0.505395D-01  0.224055D+02 -0.184814D+02 -0.742480D+01
      2  -0.171348D+02 -0.198778D+01 -0.235571D+02  0.133443D+02  0.642354D+01
      3   0.154414D+01  0.203832D+01  0.115151D+01  0.513711D+01  0.100126D+01
      4  -0.887277D+01 -0.413298D+01 -0.134527D+02  0.823534D+01  0.178009D+01
      5   0.557911D+01  0.298016D+01  0.895056D+01 -0.772034D+01 -0.309159D+01
      6   0.188900D+02  0.391557D+00  0.252148D+02 -0.214808D+02 -0.518739D+01
               146           147           148           149           150 
      1  -0.105774D+02  0.610113D+01 -0.846045D+01 -0.229205D+02  0.684551D+01
      2   0.117145D+02 -0.202721D+01  0.990313D+01  0.264624D+02 -0.207769D+01
      3  -0.113715D+01 -0.407391D+01 -0.144268D+01 -0.354190D+01 -0.476782D+01
      4  -0.468316D+00 -0.832512D+00  0.139973D+01 -0.834839D+01  0.269006D+01
      5  -0.435069D+01  0.270818D+01 -0.594628D+01 -0.262379D+01 -0.260976D+01
      6  -0.932228D+01  0.343761D+01 -0.631636D+01 -0.185466D+02  0.913886D+01
               151           152           153           154           155 
      1   0.158373D+01  0.705459D+00 -0.208732D+01 -0.708331D+01  0.303273D+01
      2   0.125917D+00  0.202761D+01  0.114059D+01 -0.191360D+01  0.297689D+01
      3  -0.170964D+01 -0.273307D+01  0.946733D+00  0.899691D+01 -0.600962D+01
      4  -0.865329D+00 -0.661547D+00 -0.620290D+00  0.290277D+01 -0.306925D+01
      5   0.268652D+01 -0.608759D+00 -0.172569D+00 -0.219125D+01  0.842112D+00
      6   0.148374D+01  0.502697D+01 -0.187708D+01  0.247749D+01 -0.554126D+01
               156           157           158           159           160 
      1   0.974864D+01  0.486754D+01 -0.926318D+01 -0.101745D+02  0.588596D+01
      2   0.215561D+01  0.113347D+01  0.192522D+01 -0.404233D+01  0.138889D+01
      3  -0.119043D+02 -0.600102D+01  0.733796D+01  0.142168D+02 -0.727486D+01
      4  -0.329822D+01 -0.356033D+01  0.659833D+01  0.397161D+01 -0.327976D+01
      5   0.360241D+01  0.183179D+01 -0.820385D+00  0.378491D+01  0.516728D+01
      6  -0.279601D+01 -0.437594D+01  0.822778D+01  0.542408D+01 -0.320422D+01
               161           162           163           164           165 
      1  -0.629606D+01 -0.102004D+02  0.166718D+02 -0.168728D+01  0.403333D+01
      2  -0.226037D+01 -0.663540D+01 -0.185235D+02  0.328532D+01 -0.159506D+02
      3   0.855644D+01  0.168358D+02  0.185171D+01 -0.159804D+01  0.119173D+02
      4   0.281886D+01  0.365412D+01 -0.133580D+02  0.960713D+01 -0.101679D+02
      5  -0.303157D+00  0.189352D+01  0.341780D+02 -0.101887D+02  0.320062D+02
      6   0.569615D+01  0.440675D+01 -0.838468D+01  0.715109D+01 -0.978551D+01
               166           167           168           169           170 
      1  -0.926364D+00 -0.169594D+01  0.106861D+01  0.453174D+01  0.940028D+00
      2   0.155881D+01  0.932387D-01  0.174383D+00 -0.136080D+02  0.186723D+01
      3  -0.632445D+00  0.160271D+01 -0.124299D+01  0.907621D+01 -0.280725D+01
      4   0.703186D+01 -0.568922D+01  0.708873D+01 -0.805438D+01  0.596807D+01
      5  -0.562218D+01  0.721044D+01 -0.532957D+01  0.259321D+02 -0.825716D+01
      6   0.495054D+01 -0.584594D+01  0.792412D+01 -0.751980D+01  0.723213D+01
               171           172           173           174           175 
      1  -0.233201D+01  0.175947D+02 -0.188554D+01 -0.104417D+02  0.619376D+01
      2  -0.175577D+02 -0.129251D+02  0.852425D+00  0.109777D+02 -0.434652D+01
      3   0.198897D+02 -0.466959D+01  0.103311D+01 -0.536033D+00 -0.184725D+01
      4  -0.855470D+01 -0.529030D+01  0.287268D+01  0.719013D+00  0.946294D+00
      5   0.304803D+02 -0.151310D+02 -0.166834D+01  0.198009D+02 -0.724360D+01
      6  -0.104244D+02  0.263299D+01 -0.189211D-02 -0.511412D+01  0.257034D+00
               176           177           178           179           180 
      1  -0.179129D+01 -0.528372D+01 -0.141115D+02 -0.265352D+01  0.102149D+02
      2  -0.111185D+00  0.767601D+01  0.149667D+02  0.506725D+01 -0.246705D+02
      3   0.190248D+01 -0.239229D+01 -0.855164D+00 -0.241373D+01  0.144556D+02
      4   0.399635D+01 -0.492625D+01  0.403325D+01 -0.856498D+01 -0.363968D+01
      5  -0.533040D+01  0.100438D+02  0.277511D+02  0.170836D+00 -0.471905D+02
      6  -0.226843D+00  0.173504D+01 -0.763501D+01  0.480047D+01  0.145337D+02
               181           182           183           184           185 
      1  -0.695150D+01 -0.188319D+02 -0.196122D+01 -0.132403D+02 -0.336847D+02
      2   0.733341D+01  0.204667D+02  0.235066D+01  0.913973D+01  0.462307D+02
      3  -0.381909D+00 -0.163480D+01 -0.389447D+00  0.410058D+01 -0.125460D+02
      4  -0.180460D+00 -0.773626D+01 -0.358580D+01  0.550418D+01 -0.317111D+02
      5   0.290167D+01 -0.215898D+01 -0.925045D+00  0.764931D+00 -0.368242D+01
      6   0.760748D+00  0.599500D+01  0.403434D+01  0.199228D+01  0.126843D+02
               186           187           188           189           190 
      1  -0.696609D+01  0.681812D+00 -0.702391D+01 -0.347032D+01  0.665916D+02
      2   0.636107D+01  0.109256D+01  0.499628D+01  0.266502D+01 -0.279317D+02
      3   0.605020D+00 -0.177437D+01  0.202763D+01  0.805300D+00 -0.386599D+02
      4  -0.462650D+01 -0.251671D+01 -0.210930D+01 -0.395615D+01 -0.398220D+02
      5  -0.463160D+01  0.337652D+01 -0.405009D+01 -0.473511D+01  0.159894D+02
      6   0.846242D+01  0.500217D+00  0.838342D+01  0.442581D+01 -0.715646D+01
               191           192           193           194           195 
      1  -0.193757D+02  0.160505D+02 -0.109265D+02  0.534557D+01 -0.408701D+01
      2   0.463157D+01 -0.566365D+01  0.221157D+00  0.408503D+01  0.367213D+00
      3   0.147442D+02 -0.103869D+02  0.107053D+02 -0.943060D+01  0.371979D+01
      4   0.215451D+02 -0.102762D+02  0.187702D+02 -0.155369D+02  0.661867D+01
      5  -0.581598D+01  0.157760D+02 -0.488063D+01  0.484325D+01 -0.196727D+01
      6   0.370761D+01 -0.671830D+01  0.351095D+01 -0.180644D+01  0.294749D+01
               196           197           198           199           200 
      1   0.304570D+02 -0.959584D+01  0.139503D+02  0.364130D+00  0.378043D-01
      2  -0.112184D+02  0.112197D+01 -0.857399D+01 -0.100880D+01  0.204253D+00
      3  -0.192386D+02  0.847387D+01 -0.537627D+01  0.644669D+00 -0.242057D+00
      4  -0.229626D+02  0.162868D+02 -0.960776D+01  0.462577D+00  0.239817D+01
      5   0.196860D+02 -0.640546D+01  0.132777D+02  0.316128D+00  0.149820D+01
      6  -0.844312D+01  0.422763D+01 -0.669736D+01  0.252235D+01  0.488472D+00
               201           202           203           204           205 
      1   0.639246D+00  0.505533D+01 -0.178560D+02 -0.807487D+01  0.187623D+01
      2  -0.533611D+00 -0.321196D+01  0.164168D+02  0.355065D+01 -0.338590D+01
      3  -0.105634D+00 -0.184338D+01  0.143912D+01  0.452421D+01  0.150967D+01
      4   0.107195D+01  0.181356D+01  0.505073D+01  0.193453D+01  0.211083D+01
      5   0.164010D+01  0.104679D+01  0.278888D+01  0.235391D+01  0.216546D+01
      6   0.824790D+00 -0.715345D+00  0.117018D+02  0.739179D+01  0.203582D+01
               206           207           208           209           210 
      1  -0.544542D+01 -0.269030D+01  0.124038D+01 -0.410928D+01 -0.161460D+01
      2   0.230675D+01  0.143511D+01  0.115047D+01  0.246735D+01  0.676458D+00
      3   0.313867D+01  0.125519D+01 -0.239085D+01  0.164192D+01  0.938143D+00
      4   0.726212D+00  0.127106D+01 -0.333117D+01  0.371953D+01  0.133090D+01
      5   0.213818D+01  0.103117D+01 -0.210192D+01  0.101608D+01  0.661693D+00
      6   0.560387D+01  0.439214D+01  0.646503D+00 -0.967756D+00 -0.607551D-01
               211           212           213           214           215 
      1  -0.346236D+01 -0.150785D+02 -0.211367D+01 -0.292738D+01 -0.228973D+01
      2   0.503921D+00  0.215085D+02  0.271261D+01 -0.328090D+00  0.360352D+01
      3   0.295844D+01 -0.643003D+01 -0.598947D+00  0.325547D+01 -0.131379D+01
      4   0.607696D+01 -0.176617D+02 -0.326369D+01  0.366392D+01 -0.454137D+01
      5   0.169880D+01 -0.242911D+01 -0.249776D+01 -0.208831D+01 -0.172933D+01
      6  -0.116264D+01  0.116164D+01  0.391888D+01  0.183978D+01  0.279285D+01
               216           217           218           219           220 
      1  -0.318822D+01  0.177173D+02 -0.656722D+01  0.633766D+01 -0.213862D+02
      2   0.260249D+01 -0.608614D+01  0.139310D+01 -0.250903D+01  0.484755D+01
      3   0.585725D+00 -0.116312D+02  0.517412D+01 -0.382862D+01  0.165386D+02
      4  -0.229228D+01 -0.808799D+01  0.104261D+02 -0.666381D+01  0.322489D+02
      5  -0.909973D+00  0.741670D+01 -0.598404D+01  0.412823D+01 -0.534745D+01
      6   0.148676D+01 -0.311096D+01  0.111926D+01 -0.509428D+00  0.317501D+01
               221           222           223           224           225 
      1   0.965357D+01 -0.115758D+00  0.194165D+02 -0.677378D+01  0.157261D+01
      2   0.102310D+02 -0.516556D+01 -0.709769D+01 -0.318293D+01 -0.752479D-01
      3  -0.198846D+02  0.528132D+01 -0.123189D+02  0.995671D+01 -0.149736D+01
      4  -0.527924D+02  0.151365D+02 -0.182053D+02  0.262875D+02 -0.195980D+02
      5   0.165007D+02 -0.188787D+02  0.135200D+02 -0.208791D+02  0.168612D+02
      6  -0.751426D+01  0.757470D+01 -0.498143D+01  0.964071D+01 -0.680361D+01
               226           227           228           229           230 
      1   0.204703D+01 -0.490214D+00 -0.905293D+01 -0.786098D+01 -0.477511D+00
      2  -0.205185D+01 -0.725879D-01  0.241940D+01  0.348965D+01  0.120255D+01
      3   0.482060D-02  0.562802D+00  0.663353D+01  0.437133D+01 -0.725043D+00
      4   0.349338D+01 -0.173464D+01 -0.242452D+01  0.131482D+02 -0.201196D+02
      5  -0.254292D+01 -0.308891D+01 -0.289124D+01  0.365179D+01 -0.126603D+02
      6   0.196421D+01  0.231324D+01  0.239072D+01 -0.195963D+01  0.763218D+01
               231           232           233           234           235 
      1  -0.542860D+01 -0.189913D+02 -0.559299D+01 -0.120219D+02  0.999188D+02
      2   0.135888D+01  0.130752D+02 -0.743365D+00 -0.977698D+01 -0.534318D+02
      3   0.406972D+01  0.591610D+01  0.633635D+01  0.217989D+02 -0.464870D+02
      4  -0.128650D+02  0.758365D+01 -0.152172D+02 -0.209236D+02  0.169561D+02
      5  -0.175707D+02  0.174100D+02 -0.224652D+02 -0.522857D+02 -0.121439D+02
      6   0.107647D+02 -0.429410D+01  0.121597D+02  0.175396D+02 -0.276177D+01
               236           237           238           239           240 
      1   0.211017D+02 -0.694611D+01  0.452807D+02  0.178465D+02 -0.470093D+01
      2  -0.122784D+02  0.510819D+01 -0.244361D+02 -0.823372D+01  0.267129D+01
      3  -0.882329D+01  0.183792D+01 -0.208446D+02 -0.961275D+01  0.202964D+01
      4   0.153354D+02 -0.273349D+01  0.208275D+02  0.140504D+02 -0.112025D+01
      5  -0.388420D+01  0.133693D+02 -0.740406D+01 -0.176737D+01  0.635604D+01
      6  -0.143838D+01 -0.145318D-01 -0.249337D+01 -0.247609D+01  0.205843D+01
               241           242           243 
      1  -0.248358D+01 -0.228287D+01  0.942354D+01
      2   0.290308D+01  0.724258D+00 -0.669833D+01
      3  -0.419499D+00  0.155862D+01 -0.272521D+01
      4  -0.209454D+01  0.830883D+00  0.111710D+01
      5   0.149164D+02  0.159242D+01 -0.558803D+01
      6   0.419616D+00  0.253210D+01  0.455274D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131119D+03      0.194298D+02      0.216185D+02
   aniso      0.638935D+02      0.946803D+01      0.105346D+02
   xx         0.171697D+03      0.254428D+02      0.283090D+02
   yx        -0.295356D+01     -0.437672D+00     -0.486976D+00
   yy         0.119662D+03      0.177320D+02      0.197295D+02
   zx        -0.581410D+01     -0.861561D+00     -0.958616D+00
   zy         0.230466D+01      0.341516D+00      0.379987D+00
   zz         0.101997D+03      0.151144D+02      0.168171D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131119D+03      0.194298D+02      0.216185D+02
   aniso      0.638935D+02      0.946803D+01      0.105346D+02
   xx         0.144885D+03      0.214698D+02      0.238883D+02
   yx        -0.227281D+02     -0.336796D+01     -0.374736D+01
   yy         0.113438D+03      0.168097D+02      0.187034D+02
   zx         0.224267D+02      0.332330D+01      0.369767D+01
   zy        -0.908520D+01     -0.134629D+01     -0.149795D+01
   zz         0.135033D+03      0.200098D+02      0.222639D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RB3LYP\Gen\C10H16O1\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
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 THE MORE ACCURATE THE CALCULATIONS BECOME, THE MORE THE CONCEPTS
 TEND TO VANISH INTO THIN AIR.
     -- R.S. MULLIKEN, J.C.P. 43,S2(1965)
 Job cpu time:       0 days  3 hours  1 minutes 55.4 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 48.7 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:03:30 2021.
